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You searched for subject:(Transition state theory). Showing records 1 – 30 of 56 total matches.

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Cornell University

1. Nguyen, Linh. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .

Degree: 2013, Cornell University

 Atomistic simulations have been widely used to study deformation mechanisms of plasticity in metals and alloys. While being very effective for illuminating the controlling mechanisms… (more)

Subjects/Keywords: dislocation; transition state theory; molecular dynamics simulation

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APA (6th Edition):

Nguyen, L. (2013). Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/33894

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Thesis, Cornell University. Accessed October 15, 2019. http://hdl.handle.net/1813/33894.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Web. 15 Oct 2019.

Vancouver:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions . [Internet] [Thesis]. Cornell University; 2013. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/1813/33894.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions . [Thesis]. Cornell University; 2013. Available from: http://hdl.handle.net/1813/33894

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

2. C.D. Aieta. QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS.

Degree: 2018, Università degli Studi di Milano

 Chemical reactions are intrinsically dynamical processes. Reaction rate constants, and thus the understanding of chemical kinetics, can be in principle obtained at a very detailed… (more)

Subjects/Keywords: semiclassical; quantum; transition state theory; tunneling; Settore CHIM/02 - Chimica Fisica

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APA (6th Edition):

Aieta, C. (2018). QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS. (Thesis). Università degli Studi di Milano. Retrieved from http://hdl.handle.net/2434/546203

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Aieta, C.D.. “QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS.” 2018. Thesis, Università degli Studi di Milano. Accessed October 15, 2019. http://hdl.handle.net/2434/546203.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Aieta, C.D.. “QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS.” 2018. Web. 15 Oct 2019.

Vancouver:

Aieta C. QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS. [Internet] [Thesis]. Università degli Studi di Milano; 2018. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2434/546203.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Aieta C. QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS. [Thesis]. Università degli Studi di Milano; 2018. Available from: http://hdl.handle.net/2434/546203

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


NSYSU

3. Huang, Wei-Chun. The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies.

Degree: Master, Mechanical and Electro-Mechanical Engineering, 2013, NSYSU

 In this study, the degradation rate variation of polyglycolic acid molecule with mechanical stress are investigated by density functional theory (DFT) and molecular dynamics (MD),… (more)

Subjects/Keywords: molecular dynamics; transition state theory; density functional theory; Polyglycolic acid; reaction rate

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APA (6th Edition):

Huang, W. (2013). The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-174818

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Huang, Wei-Chun. “The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies.” 2013. Thesis, NSYSU. Accessed October 15, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-174818.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Huang, Wei-Chun. “The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies.” 2013. Web. 15 Oct 2019.

Vancouver:

Huang W. The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies. [Internet] [Thesis]. NSYSU; 2013. [cited 2019 Oct 15]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-174818.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Huang W. The stress effects on degradation rate of poly glycolic acid by the density functional theory and molecular dynamics studies. [Thesis]. NSYSU; 2013. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-174818

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Minnesota

4. Bao, Junwei. Reaction Rate Theory, Electronic Structure Theory, and Applications.

Degree: PhD, Chemistry, 2018, University of Minnesota

 Chemical kinetics is of fundamental importance in chemical science. In this thesis, I will cover our recent theoretical developments in thermochemical kinetics, including kinetics theories… (more)

Subjects/Keywords: Multiconfiguration pair-density functional theory; Multidimensional tunneling; System-specific quantum RRK theory; Torsional anharmonicity; Variational transition state theory

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APA (6th Edition):

Bao, J. (2018). Reaction Rate Theory, Electronic Structure Theory, and Applications. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/201082

Chicago Manual of Style (16th Edition):

Bao, Junwei. “Reaction Rate Theory, Electronic Structure Theory, and Applications.” 2018. Doctoral Dissertation, University of Minnesota. Accessed October 15, 2019. http://hdl.handle.net/11299/201082.

MLA Handbook (7th Edition):

Bao, Junwei. “Reaction Rate Theory, Electronic Structure Theory, and Applications.” 2018. Web. 15 Oct 2019.

Vancouver:

Bao J. Reaction Rate Theory, Electronic Structure Theory, and Applications. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/11299/201082.

Council of Science Editors:

Bao J. Reaction Rate Theory, Electronic Structure Theory, and Applications. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/201082


University of Melbourne

5. Czembor, Christina Anne. Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia.

Degree: 2009, University of Melbourne

 Anthropogenic utilization of forest and woodland ecosystems can cause declines in flora and fauna species. It is imperative to restore these ecosystems to mitigate further… (more)

Subjects/Keywords: elicitation; forest restoration; multiple experts; state-and-transition models; uncertainty; box-ironbark; decision theory; management

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APA (6th Edition):

Czembor, C. A. (2009). Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia. (Masters Thesis). University of Melbourne. Retrieved from http://hdl.handle.net/11343/35232

Chicago Manual of Style (16th Edition):

Czembor, Christina Anne. “Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia.” 2009. Masters Thesis, University of Melbourne. Accessed October 15, 2019. http://hdl.handle.net/11343/35232.

MLA Handbook (7th Edition):

Czembor, Christina Anne. “Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia.” 2009. Web. 15 Oct 2019.

Vancouver:

Czembor CA. Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia. [Internet] [Masters thesis]. University of Melbourne; 2009. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/11343/35232.

Council of Science Editors:

Czembor CA. Incorporating uncertainty into expert models for management of box-ironbark forests and woodlands in Victoria, Australia. [Masters Thesis]. University of Melbourne; 2009. Available from: http://hdl.handle.net/11343/35232


Indian Institute of Science

6. Chakrabarti, Rajarshi. Statistical Mechanical Models Of Some Condensed Phase Rate Processes.

Degree: 2008, Indian Institute of Science

 In the thesis work we investigate four problems connected with dynamical processes in condensed medium, using different techniques of equilibrium and non-equilibrium statistical mechanics. Biology… (more)

Subjects/Keywords: Condensation; Statistical Mechanics; Transition State Theory; Kramers Theory; Reactive Flux; Proteins - Diffusion; Transient State Work Fluctuation Theorem; Rate Processes; First Passage Time Theory; Non-Ohmic Bath; Chemical Physics

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APA (6th Edition):

Chakrabarti, R. (2008). Statistical Mechanical Models Of Some Condensed Phase Rate Processes. (Thesis). Indian Institute of Science. Retrieved from http://hdl.handle.net/2005/863

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Chakrabarti, Rajarshi. “Statistical Mechanical Models Of Some Condensed Phase Rate Processes.” 2008. Thesis, Indian Institute of Science. Accessed October 15, 2019. http://hdl.handle.net/2005/863.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Chakrabarti, Rajarshi. “Statistical Mechanical Models Of Some Condensed Phase Rate Processes.” 2008. Web. 15 Oct 2019.

Vancouver:

Chakrabarti R. Statistical Mechanical Models Of Some Condensed Phase Rate Processes. [Internet] [Thesis]. Indian Institute of Science; 2008. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2005/863.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chakrabarti R. Statistical Mechanical Models Of Some Condensed Phase Rate Processes. [Thesis]. Indian Institute of Science; 2008. Available from: http://hdl.handle.net/2005/863

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Loughborough University

7. Allahem, Ali Ibraheem. Numerical investigation of chaotic dynamics in multidimensional transition states.

Degree: PhD, 2014, Loughborough University

 Many chemical reactions can be described as the crossing of an energetic barrier. This process is mediated by an invariant object in phase space. One… (more)

Subjects/Keywords: 515; Transition state theory; Hamiltonian; Dividing surface; NHIM; Centre manifold; Lyapunov exponents; Reactive island; Stable and unstable cylindrical manifolds.

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APA (6th Edition):

Allahem, A. I. (2014). Numerical investigation of chaotic dynamics in multidimensional transition states. (Doctoral Dissertation). Loughborough University. Retrieved from https://dspace.lboro.ac.uk/2134/14058 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.594459

Chicago Manual of Style (16th Edition):

Allahem, Ali Ibraheem. “Numerical investigation of chaotic dynamics in multidimensional transition states.” 2014. Doctoral Dissertation, Loughborough University. Accessed October 15, 2019. https://dspace.lboro.ac.uk/2134/14058 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.594459.

MLA Handbook (7th Edition):

Allahem, Ali Ibraheem. “Numerical investigation of chaotic dynamics in multidimensional transition states.” 2014. Web. 15 Oct 2019.

Vancouver:

Allahem AI. Numerical investigation of chaotic dynamics in multidimensional transition states. [Internet] [Doctoral dissertation]. Loughborough University; 2014. [cited 2019 Oct 15]. Available from: https://dspace.lboro.ac.uk/2134/14058 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.594459.

Council of Science Editors:

Allahem AI. Numerical investigation of chaotic dynamics in multidimensional transition states. [Doctoral Dissertation]. Loughborough University; 2014. Available from: https://dspace.lboro.ac.uk/2134/14058 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.594459


Kyoto University / 京都大学

8. Saito, Ken. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.

Degree: 博士(工学), 2012, Kyoto University / 京都大学

新制・課程博士

甲第17162号

工博第3652号

Subjects/Keywords: Electronic structure theory; excited state chemistry; transition metal complex

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APA (6th Edition):

Saito, K. (2012). Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.” 2012. Thesis, Kyoto University / 京都大学. Accessed October 15, 2019. http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.” 2012. Web. 15 Oct 2019.

Vancouver:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. [Internet] [Thesis]. Kyoto University / 京都大学; 2012. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. [Thesis]. Kyoto University / 京都大学; 2012. Available from: http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Kansas

9. Ouellette, Andrew Nicholas. Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa.

Degree: MA, Biochemistry & Molecular Biology, 2011, University of Kansas

 Enzymes act as biological catalysts for chemical reactions that would otherwise occur at rates insufficient for the survival and growth of an organism. Understanding the… (more)

Subjects/Keywords: Biochemistry; Biophysics; Molecular biology; Chorismate mutase; Isochorismate-pyruvate lyase; Nmr; Pchb; Reactive substrate destabilization; Transition state theory

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Ouellette, A. N. (2011). Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa. (Masters Thesis). University of Kansas. Retrieved from http://hdl.handle.net/1808/8172

Chicago Manual of Style (16th Edition):

Ouellette, Andrew Nicholas. “Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa.” 2011. Masters Thesis, University of Kansas. Accessed October 15, 2019. http://hdl.handle.net/1808/8172.

MLA Handbook (7th Edition):

Ouellette, Andrew Nicholas. “Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa.” 2011. Web. 15 Oct 2019.

Vancouver:

Ouellette AN. Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa. [Internet] [Masters thesis]. University of Kansas; 2011. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/1808/8172.

Council of Science Editors:

Ouellette AN. Structure-function Study of PchB, an Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa. [Masters Thesis]. University of Kansas; 2011. Available from: http://hdl.handle.net/1808/8172


Kyoto University

10. Saito, Ken. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .

Degree: 2012, Kyoto University

Subjects/Keywords: Electronic structure theory; excited state chemistry; transition metal complex

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Saito, K. (2012). Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/161018

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .” 2012. Thesis, Kyoto University. Accessed October 15, 2019. http://hdl.handle.net/2433/161018.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .” 2012. Web. 15 Oct 2019.

Vancouver:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . [Internet] [Thesis]. Kyoto University; 2012. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2433/161018.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . [Thesis]. Kyoto University; 2012. Available from: http://hdl.handle.net/2433/161018

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of South Carolina

11. Liao, Hsiao-chuan. The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory.

Degree: PhD, Political Science, 2012, University of South Carolina

  What causes interstate conflicts to occur? Is it possible to predict the occurrence of violent conflicts or to reduce the probability of the occurrence?… (more)

Subjects/Keywords: Political Science; Social and Behavioral Sciences; Initiation of war; International Conflict; Power parity; Power Transition Theory; State dissatisfaction

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APA (6th Edition):

Liao, H. (2012). The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory. (Doctoral Dissertation). University of South Carolina. Retrieved from https://scholarcommons.sc.edu/etd/1784

Chicago Manual of Style (16th Edition):

Liao, Hsiao-chuan. “The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory.” 2012. Doctoral Dissertation, University of South Carolina. Accessed October 15, 2019. https://scholarcommons.sc.edu/etd/1784.

MLA Handbook (7th Edition):

Liao, Hsiao-chuan. “The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory.” 2012. Web. 15 Oct 2019.

Vancouver:

Liao H. The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory. [Internet] [Doctoral dissertation]. University of South Carolina; 2012. [cited 2019 Oct 15]. Available from: https://scholarcommons.sc.edu/etd/1784.

Council of Science Editors:

Liao H. The Relationship Between State Dissatisfaction and the Level of Conflict In State Dyads: the Revised Power Transition Theory. [Doctoral Dissertation]. University of South Carolina; 2012. Available from: https://scholarcommons.sc.edu/etd/1784


University of Pennsylvania

12. Jiang, Yijie. Adhesion And Wear Of Nanoscale Polymer Contacts.

Degree: 2017, University of Pennsylvania

 Atomic force microscopy (AFM) is a powerful tool for high resolution surface measurements, nanolithography, and tip-based nanomanufacturing. An understanding of the nanoscale tribological behavior of… (more)

Subjects/Keywords: Adhesion measurements; AFM-based nanomechanics; Finite element analysis; Nanoscale wear; Polymer contacts; Transition state theory; Mechanical Engineering; Nanoscience and Nanotechnology

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APA (6th Edition):

Jiang, Y. (2017). Adhesion And Wear Of Nanoscale Polymer Contacts. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/2362

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Jiang, Yijie. “Adhesion And Wear Of Nanoscale Polymer Contacts.” 2017. Thesis, University of Pennsylvania. Accessed October 15, 2019. https://repository.upenn.edu/edissertations/2362.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Jiang, Yijie. “Adhesion And Wear Of Nanoscale Polymer Contacts.” 2017. Web. 15 Oct 2019.

Vancouver:

Jiang Y. Adhesion And Wear Of Nanoscale Polymer Contacts. [Internet] [Thesis]. University of Pennsylvania; 2017. [cited 2019 Oct 15]. Available from: https://repository.upenn.edu/edissertations/2362.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Jiang Y. Adhesion And Wear Of Nanoscale Polymer Contacts. [Thesis]. University of Pennsylvania; 2017. Available from: https://repository.upenn.edu/edissertations/2362

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Texas – Austin

13. -0085-9408. Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion.

Degree: PhD, Aerospace Engineering, 2017, University of Texas – Austin

 Early phases of complex astrodynamics applications often require broad searches of large solution spaces. For these studies, mission complexity generally motivates the use of the… (more)

Subjects/Keywords: Vinti theory; Equinoctial elements; Spheroidal method; Intermediary; Spacecraft relative motion; Spacecraft formation flying; State transition matrix

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APA (6th Edition):

-0085-9408. (2017). Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/62964

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

-0085-9408. “Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion.” 2017. Doctoral Dissertation, University of Texas – Austin. Accessed October 15, 2019. http://hdl.handle.net/2152/62964.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

-0085-9408. “Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion.” 2017. Web. 15 Oct 2019.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-0085-9408. Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2017. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2152/62964.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

-0085-9408. Revisiting Vinti theory : generalized equinoctial elements and applications to spacecraft relative motion. [Doctoral Dissertation]. University of Texas – Austin; 2017. Available from: http://hdl.handle.net/2152/62964

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Loughborough University

14. Allahem, Ali Ibraheem. Numerical investigation of chaotic dynamics in multidimensional transition states.

Degree: PhD, 2014, Loughborough University

 Many chemical reactions can be described as the crossing of an energetic barrier. This process is mediated by an invariant object in phase space. One… (more)

Subjects/Keywords: 515; Transition state theory; Hamiltonian; Dividing surface; NHIM; Centre manifold; Lyapunov exponents; Reactive island; Stable and unstable cylindrical manifolds.

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APA (6th Edition):

Allahem, A. I. (2014). Numerical investigation of chaotic dynamics in multidimensional transition states. (Doctoral Dissertation). Loughborough University. Retrieved from http://hdl.handle.net/2134/14058

Chicago Manual of Style (16th Edition):

Allahem, Ali Ibraheem. “Numerical investigation of chaotic dynamics in multidimensional transition states.” 2014. Doctoral Dissertation, Loughborough University. Accessed October 15, 2019. http://hdl.handle.net/2134/14058.

MLA Handbook (7th Edition):

Allahem, Ali Ibraheem. “Numerical investigation of chaotic dynamics in multidimensional transition states.” 2014. Web. 15 Oct 2019.

Vancouver:

Allahem AI. Numerical investigation of chaotic dynamics in multidimensional transition states. [Internet] [Doctoral dissertation]. Loughborough University; 2014. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2134/14058.

Council of Science Editors:

Allahem AI. Numerical investigation of chaotic dynamics in multidimensional transition states. [Doctoral Dissertation]. Loughborough University; 2014. Available from: http://hdl.handle.net/2134/14058


RMIT University

15. Williams, M. Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences.

Degree: 2014, RMIT University

 There is emerging corporate governance research on the problem of conflict of interest between shareholders (i.e., the principal-principal problem). This problem concerns the phenomenon of… (more)

Subjects/Keywords: Fields of Research; related-party transactions; corporate governance; controlling shareholders; China; State-owned; cadre entrepreneurs; tunnelling; propping; ownership control theory; market transition theory

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APA (6th Edition):

Williams, M. (2014). Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences. (Thesis). RMIT University. Retrieved from http://researchbank.rmit.edu.au/view/rmit:160707

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Williams, M. “Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences.” 2014. Thesis, RMIT University. Accessed October 15, 2019. http://researchbank.rmit.edu.au/view/rmit:160707.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Williams, M. “Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences.” 2014. Web. 15 Oct 2019.

Vancouver:

Williams M. Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences. [Internet] [Thesis]. RMIT University; 2014. [cited 2019 Oct 15]. Available from: http://researchbank.rmit.edu.au/view/rmit:160707.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Williams M. Prejudicial related-party transactions of listed companies in China: evidence of motivating and enabling influences. [Thesis]. RMIT University; 2014. Available from: http://researchbank.rmit.edu.au/view/rmit:160707

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Harvard University

16. Hoyt, Robert. Understanding Catalysts With Density Functional Theory and Machine Learning.

Degree: PhD, 2018, Harvard University

Catalysts are the cornerstone of the chemicals industry, whose products are used in nearly all human endeavors. At the core of catalysis lies the intricate… (more)

Subjects/Keywords: density functional theory; electronic structure; catalysis; computational chemistry; computational physics; chemical physics; machine learning; data science; materials informatics; cheminformatics; transition state theory

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APA (6th Edition):

Hoyt, R. (2018). Understanding Catalysts With Density Functional Theory and Machine Learning. (Doctoral Dissertation). Harvard University. Retrieved from http://nrs.harvard.edu/urn-3:HUL.InstRepos:41129179

Chicago Manual of Style (16th Edition):

Hoyt, Robert. “Understanding Catalysts With Density Functional Theory and Machine Learning.” 2018. Doctoral Dissertation, Harvard University. Accessed October 15, 2019. http://nrs.harvard.edu/urn-3:HUL.InstRepos:41129179.

MLA Handbook (7th Edition):

Hoyt, Robert. “Understanding Catalysts With Density Functional Theory and Machine Learning.” 2018. Web. 15 Oct 2019.

Vancouver:

Hoyt R. Understanding Catalysts With Density Functional Theory and Machine Learning. [Internet] [Doctoral dissertation]. Harvard University; 2018. [cited 2019 Oct 15]. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:41129179.

Council of Science Editors:

Hoyt R. Understanding Catalysts With Density Functional Theory and Machine Learning. [Doctoral Dissertation]. Harvard University; 2018. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:41129179

17. Rainone, Corrado. Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement.

Degree: Docteur es, Physique, 2015, Paris, Ecole normale supérieure; Università degli studi La Sapienza (Rome)

On considère l'évolution adiabatique des états vitreux sous perturbations extérieures. Bien que le formalisme que nous utilisons soit très général, nous nous concentrons ici sur… (more)

Subjects/Keywords: Transition vitreuse; États vitreux métastables; Compression; Cisaillement; Limite d'élasticité; Sphères dures; Champ moyen; Théorie RFOT; Glassy state transition; Metastable glassy state; Compression; Shear-strain; Yield stress; Hard spheres; Mean field; RFOT theory; 530

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APA (6th Edition):

Rainone, C. (2015). Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement. (Doctoral Dissertation). Paris, Ecole normale supérieure; Università degli studi La Sapienza (Rome). Retrieved from http://www.theses.fr/2015ENSU0051

Chicago Manual of Style (16th Edition):

Rainone, Corrado. “Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement.” 2015. Doctoral Dissertation, Paris, Ecole normale supérieure; Università degli studi La Sapienza (Rome). Accessed October 15, 2019. http://www.theses.fr/2015ENSU0051.

MLA Handbook (7th Edition):

Rainone, Corrado. “Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement.” 2015. Web. 15 Oct 2019.

Vancouver:

Rainone C. Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement. [Internet] [Doctoral dissertation]. Paris, Ecole normale supérieure; Università degli studi La Sapienza (Rome); 2015. [cited 2019 Oct 15]. Available from: http://www.theses.fr/2015ENSU0051.

Council of Science Editors:

Rainone C. Following the evolution of metastable glassy states under external perturbations : compression and shear-strain : Suivre l'évolution des états vitreux sous perturbations extérieures : compression et cisaillement. [Doctoral Dissertation]. Paris, Ecole normale supérieure; Università degli studi La Sapienza (Rome); 2015. Available from: http://www.theses.fr/2015ENSU0051

18. Rosabella,K Puthur; Sebastian, K L. Theory of Breaking of a Potyrner Molecule under Tension.

Degree: 2001, Cochin University of Science and Technology

 The thesis presents the dynamics of a polymer chain under tension. It includes existing theories of polymer fracture, important theories of reaction rates, the rate… (more)

Subjects/Keywords: Polymer molecule; Tension; Breaking; Theories of fracture; Polymer fracture; Transition state theory

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APA (6th Edition):

Rosabella,K Puthur; Sebastian, K. L. (2001). Theory of Breaking of a Potyrner Molecule under Tension. (Thesis). Cochin University of Science and Technology. Retrieved from http://dyuthi.cusat.ac.in/purl/976

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Rosabella,K Puthur; Sebastian, K L. “Theory of Breaking of a Potyrner Molecule under Tension.” 2001. Thesis, Cochin University of Science and Technology. Accessed October 15, 2019. http://dyuthi.cusat.ac.in/purl/976.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Rosabella,K Puthur; Sebastian, K L. “Theory of Breaking of a Potyrner Molecule under Tension.” 2001. Web. 15 Oct 2019.

Vancouver:

Rosabella,K Puthur; Sebastian KL. Theory of Breaking of a Potyrner Molecule under Tension. [Internet] [Thesis]. Cochin University of Science and Technology; 2001. [cited 2019 Oct 15]. Available from: http://dyuthi.cusat.ac.in/purl/976.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Rosabella,K Puthur; Sebastian KL. Theory of Breaking of a Potyrner Molecule under Tension. [Thesis]. Cochin University of Science and Technology; 2001. Available from: http://dyuthi.cusat.ac.in/purl/976

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Kyoto University / 京都大学

19. Inagaki, Taichi. Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究.

Degree: 博士(理学), 2014, Kyoto University / 京都大学

新制・課程博士

甲第18448号

理博第4008号

Subjects/Keywords: hydrogen transfer; electronic structure; hydrogen tunneling; solvent effect; transition state theory

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APA (6th Edition):

Inagaki, T. (2014). Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/189341 ; http://dx.doi.org/10.14989/doctor.k18448

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Inagaki, Taichi. “Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究.” 2014. Thesis, Kyoto University / 京都大学. Accessed October 15, 2019. http://hdl.handle.net/2433/189341 ; http://dx.doi.org/10.14989/doctor.k18448.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Inagaki, Taichi. “Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究.” 2014. Web. 15 Oct 2019.

Vancouver:

Inagaki T. Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2014. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2433/189341 ; http://dx.doi.org/10.14989/doctor.k18448.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Inagaki T. Theoretical Study on Mechanism and Dynamics of Hydrogen Transfer Reaction : 水素移動反応のメカニズムとダイナミクスに関する理論的研究. [Thesis]. Kyoto University / 京都大学; 2014. Available from: http://hdl.handle.net/2433/189341 ; http://dx.doi.org/10.14989/doctor.k18448

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

20. Kolokathis, Panagiotis. Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory.

Degree: 2016, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ)

 This doctoral thesis describes the development and application of a new computational methodology for calculating the rate constants governing the motion of sorbate molecules strongly… (more)

Subjects/Keywords: Διάχυση στους πόρους καταλύτη; Θεωρία μεταβατικών καταστάσεων; Ζεόλιθος; Αρωματικοί υδρογονάνθρακες; Ατομιστική προσομοίωση; Diffusion in catalytic pores; Transition state theory; Zeolite; Aromatic hydrocarbons; Atomistic simulations

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APA (6th Edition):

Kolokathis, P. (2016). Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory. (Thesis). National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Retrieved from http://hdl.handle.net/10442/hedi/38819

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Kolokathis, Panagiotis. “Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory.” 2016. Thesis, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Accessed October 15, 2019. http://hdl.handle.net/10442/hedi/38819.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Kolokathis, Panagiotis. “Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory.” 2016. Web. 15 Oct 2019.

Vancouver:

Kolokathis P. Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory. [Internet] [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2016. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/10442/hedi/38819.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kolokathis P. Diffusion of aromatics in silicalite-1: predictions using hierarchical molecular simulations based on transition state theory. [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2016. Available from: http://hdl.handle.net/10442/hedi/38819

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Georgia Tech

21. Konduri, Suchitra. Computational investigations of molecular transport processes in nanotubular and nanocomposite materials.

Degree: PhD, Chemical Engineering, 2009, Georgia Tech

 The unique physical properties of nanomaterials, attributed to the combined effects of their size, shape, and composition, have sparked significant interest in the field of… (more)

Subjects/Keywords: Aluminophosphates; Force field; Transition state approach; Monte Carlo; Atomistic simulations; Diffusion; Adsorption; Porous nanomaterials; Nanocomposites; Nanotubes; Molecular dynamics; Transport theory; Nanocomposites (Materials); Molecular dynamics; Computer simulation; Nanotubes; Porous materials

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APA (6th Edition):

Konduri, S. (2009). Computational investigations of molecular transport processes in nanotubular and nanocomposite materials. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/28281

Chicago Manual of Style (16th Edition):

Konduri, Suchitra. “Computational investigations of molecular transport processes in nanotubular and nanocomposite materials.” 2009. Doctoral Dissertation, Georgia Tech. Accessed October 15, 2019. http://hdl.handle.net/1853/28281.

MLA Handbook (7th Edition):

Konduri, Suchitra. “Computational investigations of molecular transport processes in nanotubular and nanocomposite materials.” 2009. Web. 15 Oct 2019.

Vancouver:

Konduri S. Computational investigations of molecular transport processes in nanotubular and nanocomposite materials. [Internet] [Doctoral dissertation]. Georgia Tech; 2009. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/1853/28281.

Council of Science Editors:

Konduri S. Computational investigations of molecular transport processes in nanotubular and nanocomposite materials. [Doctoral Dissertation]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/28281


Penn State University

22. Tiwary, Yogesh. PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY.

Degree: PhD, Chemical Engineering, 2009, Penn State University

 Controlled fabrication of nanostructures is a daunting challenge using conventional techniques. An attractive alternative for achieving this in an economical manner is the use of… (more)

Subjects/Keywords: aluminum; self assembly; directed assembly; homoepitaxy; kinetic monte carlo; first principles; quantum mechanical calculation; ab initio; transition state theory; nudged elastic band; atomic interaction; surface relaxation

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APA (6th Edition):

Tiwary, Y. (2009). PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/10207

Chicago Manual of Style (16th Edition):

Tiwary, Yogesh. “PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY.” 2009. Doctoral Dissertation, Penn State University. Accessed October 15, 2019. https://etda.libraries.psu.edu/catalog/10207.

MLA Handbook (7th Edition):

Tiwary, Yogesh. “PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY.” 2009. Web. 15 Oct 2019.

Vancouver:

Tiwary Y. PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY. [Internet] [Doctoral dissertation]. Penn State University; 2009. [cited 2019 Oct 15]. Available from: https://etda.libraries.psu.edu/catalog/10207.

Council of Science Editors:

Tiwary Y. PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY. [Doctoral Dissertation]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/10207


Northeastern University

23. Seyedzadeh Khanshan, Fariba. Automatic generation of detailed kinetic models for complex chemical systems.

Degree: PhD, Department of Chemical Engineering, 2016, Northeastern University

 Detailed chemical kinetic mechanisms represent molecular interactions that occur when chemical bonds are broken and reformed into new chemical compounds. Many natural and industrial processes… (more)

Subjects/Keywords: ab initio calculations; automatic generation; kinetic modeling; reaction engineering; reaction mechanism generator (RMG); transition state theory; Reaction mechanisms (Chemistry); Chemical kinetics; Mathematical models; Chemical reactions; Gasoline, Synthetic; Heterocyclic compounds; Hydrocarbons

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APA (6th Edition):

Seyedzadeh Khanshan, F. (2016). Automatic generation of detailed kinetic models for complex chemical systems. (Doctoral Dissertation). Northeastern University. Retrieved from http://hdl.handle.net/2047/D20213055

Chicago Manual of Style (16th Edition):

Seyedzadeh Khanshan, Fariba. “Automatic generation of detailed kinetic models for complex chemical systems.” 2016. Doctoral Dissertation, Northeastern University. Accessed October 15, 2019. http://hdl.handle.net/2047/D20213055.

MLA Handbook (7th Edition):

Seyedzadeh Khanshan, Fariba. “Automatic generation of detailed kinetic models for complex chemical systems.” 2016. Web. 15 Oct 2019.

Vancouver:

Seyedzadeh Khanshan F. Automatic generation of detailed kinetic models for complex chemical systems. [Internet] [Doctoral dissertation]. Northeastern University; 2016. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2047/D20213055.

Council of Science Editors:

Seyedzadeh Khanshan F. Automatic generation of detailed kinetic models for complex chemical systems. [Doctoral Dissertation]. Northeastern University; 2016. Available from: http://hdl.handle.net/2047/D20213055


Northeastern University

24. Bhoorasingh, Pierre Lennox. Automated calculation of reaction kinetics via transition state theory.

Degree: PhD, Department of Chemical Engineering, 2016, Northeastern University

 Modeling complex chemical systems often requires knowledge of the elementary reactions involved, such as in combustion kinetics where models routinely contain thousands of reactions. Automated… (more)

Subjects/Keywords: automation; chemical kinetics; quantum chemistry; transition state theory; Chemical kinetics; Reaction mechanisms (Chemistry); Quantum chemistry; Chemical reactions; Distance geometry; Frequencies of oscillating systems

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APA (6th Edition):

Bhoorasingh, P. L. (2016). Automated calculation of reaction kinetics via transition state theory. (Doctoral Dissertation). Northeastern University. Retrieved from http://hdl.handle.net/2047/D20213705

Chicago Manual of Style (16th Edition):

Bhoorasingh, Pierre Lennox. “Automated calculation of reaction kinetics via transition state theory.” 2016. Doctoral Dissertation, Northeastern University. Accessed October 15, 2019. http://hdl.handle.net/2047/D20213705.

MLA Handbook (7th Edition):

Bhoorasingh, Pierre Lennox. “Automated calculation of reaction kinetics via transition state theory.” 2016. Web. 15 Oct 2019.

Vancouver:

Bhoorasingh PL. Automated calculation of reaction kinetics via transition state theory. [Internet] [Doctoral dissertation]. Northeastern University; 2016. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2047/D20213705.

Council of Science Editors:

Bhoorasingh PL. Automated calculation of reaction kinetics via transition state theory. [Doctoral Dissertation]. Northeastern University; 2016. Available from: http://hdl.handle.net/2047/D20213705

25. Chen, Jian-Cheng. Dynamics of H2 on Ti/Al(100) surfaces.

Degree: 2011, Theoretical Chemistry Group, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University

 What is the catalytic role played by titanium in the hydrogen storage material NaAlH4? This thesis aims at unraveling the dynamics of an elementary reaction:… (more)

Subjects/Keywords: H2, Ti/Al(100), DFT, Dynamics, trajectory, Quasi-classical, quamtum dynamics, transition state theory; DFT; Dynamics; H2; Quantum dynamics; Quasi-classical; Ti/Al(100); Transition state theory; H2, Ti/Al(100), DFT, Dynamics, trajectory, Quasi-classical, quamtum dynamics, transition state theory; DFT; Dynamics; H2; Quantum dynamics; Quasi-classical; Ti/Al(100); Transition state theory

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APA (6th Edition):

Chen, J. (2011). Dynamics of H2 on Ti/Al(100) surfaces. (Doctoral Dissertation). Theoretical Chemistry Group, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University. Retrieved from http://hdl.handle.net/1887/17956

Chicago Manual of Style (16th Edition):

Chen, Jian-Cheng. “Dynamics of H2 on Ti/Al(100) surfaces.” 2011. Doctoral Dissertation, Theoretical Chemistry Group, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University. Accessed October 15, 2019. http://hdl.handle.net/1887/17956.

MLA Handbook (7th Edition):

Chen, Jian-Cheng. “Dynamics of H2 on Ti/Al(100) surfaces.” 2011. Web. 15 Oct 2019.

Vancouver:

Chen J. Dynamics of H2 on Ti/Al(100) surfaces. [Internet] [Doctoral dissertation]. Theoretical Chemistry Group, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University; 2011. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/1887/17956.

Council of Science Editors:

Chen J. Dynamics of H2 on Ti/Al(100) surfaces. [Doctoral Dissertation]. Theoretical Chemistry Group, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University; 2011. Available from: http://hdl.handle.net/1887/17956


University of Saskatchewan

26. Ahmadi, Sheida 1982-. Diffusion In Highly Confined Channels: A Transition State Theory for Hopping.

Degree: 2019, University of Saskatchewan

 Brownian particles restricted to narrow, quasi-one dimensional channels exhibit a dynamic transition from single file diffusion (SFD) to normal diffusion for tracer particle diffusion as… (more)

Subjects/Keywords: Single file system; single file diffusion; brownian particles; tracer particle; narrow channels; hopping time; diffusion coefficient; transition state theory; isobaric-isothermal ensemble; separation; enantiomers; hopping barrier; chirality; carbon nanotube

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APA (6th Edition):

Ahmadi, S. 1. (2019). Diffusion In Highly Confined Channels: A Transition State Theory for Hopping. (Thesis). University of Saskatchewan. Retrieved from http://hdl.handle.net/10388/12318

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Ahmadi, Sheida 1982-. “Diffusion In Highly Confined Channels: A Transition State Theory for Hopping.” 2019. Thesis, University of Saskatchewan. Accessed October 15, 2019. http://hdl.handle.net/10388/12318.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Ahmadi, Sheida 1982-. “Diffusion In Highly Confined Channels: A Transition State Theory for Hopping.” 2019. Web. 15 Oct 2019.

Vancouver:

Ahmadi S1. Diffusion In Highly Confined Channels: A Transition State Theory for Hopping. [Internet] [Thesis]. University of Saskatchewan; 2019. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/10388/12318.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ahmadi S1. Diffusion In Highly Confined Channels: A Transition State Theory for Hopping. [Thesis]. University of Saskatchewan; 2019. Available from: http://hdl.handle.net/10388/12318

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Oxford

27. Kochems, Jonathan Antonius. Verification of asynchronous concurrency and the shaped stack constraint.

Degree: PhD, 2014, University of Oxford

 In this dissertation, we study the verification of concurrent programs written in the programming language Erlang using infinite-state model-checking. Erlang is a widely used, higher… (more)

Subjects/Keywords: 005.1; Computer science (mathematics); Computing; Theory and automated verification; Applications and algorithms; Concurrent Pushdown Systems; Asynchronous Message Passing; Verification; Infinite-State Model-Checking; Petri Nets; Well-Structured Transition Systems; Erlang; Infinite-State Systems Verification

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APA (6th Edition):

Kochems, J. A. (2014). Verification of asynchronous concurrency and the shaped stack constraint. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:cd487639-0e7f-4248-9405-e05e8a8383d5 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.664795

Chicago Manual of Style (16th Edition):

Kochems, Jonathan Antonius. “Verification of asynchronous concurrency and the shaped stack constraint.” 2014. Doctoral Dissertation, University of Oxford. Accessed October 15, 2019. http://ora.ox.ac.uk/objects/uuid:cd487639-0e7f-4248-9405-e05e8a8383d5 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.664795.

MLA Handbook (7th Edition):

Kochems, Jonathan Antonius. “Verification of asynchronous concurrency and the shaped stack constraint.” 2014. Web. 15 Oct 2019.

Vancouver:

Kochems JA. Verification of asynchronous concurrency and the shaped stack constraint. [Internet] [Doctoral dissertation]. University of Oxford; 2014. [cited 2019 Oct 15]. Available from: http://ora.ox.ac.uk/objects/uuid:cd487639-0e7f-4248-9405-e05e8a8383d5 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.664795.

Council of Science Editors:

Kochems JA. Verification of asynchronous concurrency and the shaped stack constraint. [Doctoral Dissertation]. University of Oxford; 2014. Available from: http://ora.ox.ac.uk/objects/uuid:cd487639-0e7f-4248-9405-e05e8a8383d5 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.664795

28. Chill, Samuel T. Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems.

Degree: PhD, Chemistry, 2014, University of Texas – Austin

 The timescale of chemical reactions in solid-state systems greatly exceeds what may be modeled by direct integration of Newton's equation of motion. This limitation spawned… (more)

Subjects/Keywords: Kinetic Monte Carlo; Transition state theory; EXAFS; Eon; Benchmarks; Optimization; Solid state

Transition State Theory b) Hyperdynamics Reaction Coordinate Figure 1.2: Three different… …trajectory is shown in Figure 1.2(b). Transition state theory (TST) attempts to… …approximation to transition state theory (HTST) kHTST = 3N min i νi 3N −1 ‡ νi i exp − E… …state unaffected.[2] By raising the energy of the basin relative to the transition… …the energy basin but does not modify the transition state surface. An example of a HD… 

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Chill, S. T. (2014). Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/25930

Chicago Manual of Style (16th Edition):

Chill, Samuel T. “Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems.” 2014. Doctoral Dissertation, University of Texas – Austin. Accessed October 15, 2019. http://hdl.handle.net/2152/25930.

MLA Handbook (7th Edition):

Chill, Samuel T. “Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems.” 2014. Web. 15 Oct 2019.

Vancouver:

Chill ST. Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2014. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/2152/25930.

Council of Science Editors:

Chill ST. Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems. [Doctoral Dissertation]. University of Texas – Austin; 2014. Available from: http://hdl.handle.net/2152/25930


Queens University

29. Clarkin, Owen. Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits .

Degree: Chemistry, 2012, Queens University

 In this work, experimental and theoretical approaches are applied to the study of chemical reaction dynamics. In Chapter 2, two applications of transition state theory(more)

Subjects/Keywords: Femtosecond Laser; Coincidence Imaging Spectroscopy; Scattered Light Background Reduction; Dendritic Cupric Oxide; Time Resolved Photoelectron Spectroscopy; Effect of Air Pressure on Laser Performance; Effect of Weather on Laser Performance; Transition state theory; Imaging Valence Electronic Dynamics; Non-Adiabatic Alignment; Time Resolved Photoelectron Angular Distributions; Excited States; Conical Intersections; Molecular Frame; Potential Energy Surfaces; Time Dependent Density Functional Theory; Chemical Reaction Dynamics; Flexible Transition State Theory; Carbon Disulfide

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APA (6th Edition):

Clarkin, O. (2012). Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits . (Thesis). Queens University. Retrieved from http://hdl.handle.net/1974/7456

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Clarkin, Owen. “Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits .” 2012. Thesis, Queens University. Accessed October 15, 2019. http://hdl.handle.net/1974/7456.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Clarkin, Owen. “Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits .” 2012. Web. 15 Oct 2019.

Vancouver:

Clarkin O. Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits . [Internet] [Thesis]. Queens University; 2012. [cited 2019 Oct 15]. Available from: http://hdl.handle.net/1974/7456.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Clarkin O. Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits . [Thesis]. Queens University; 2012. Available from: http://hdl.handle.net/1974/7456

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Oxford

30. Tucker, Adam Philip. Local moment phases in quantum impurity problems.

Degree: PhD, 2014, University of Oxford

 This thesis considers quantum impurity models that exhibit a quantum phase transition (QPT) between a Fermi liquid strong coupling (SC) phase, and a doubly-degenerate non-Fermi… (more)

Subjects/Keywords: 541; Physical Sciences; Chemistry & allied sciences; Theoretical chemistry; Condensed matter theory; Condensed Matter Physics; Theoretical physics; Solid state chemistry; Kondo physics; quantum impurity physics; non-Fermi liquid; local moment phase; quantum phase transition; Luttinger; diagrammatic many-body theory; Fluctuation exchange approximation; magnetic field

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Tucker, A. P. (2014). Local moment phases in quantum impurity problems. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:538d2d83-963e-4a51-81cd-4235e9761da4 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.635280

Chicago Manual of Style (16th Edition):

Tucker, Adam Philip. “Local moment phases in quantum impurity problems.” 2014. Doctoral Dissertation, University of Oxford. Accessed October 15, 2019. http://ora.ox.ac.uk/objects/uuid:538d2d83-963e-4a51-81cd-4235e9761da4 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.635280.

MLA Handbook (7th Edition):

Tucker, Adam Philip. “Local moment phases in quantum impurity problems.” 2014. Web. 15 Oct 2019.

Vancouver:

Tucker AP. Local moment phases in quantum impurity problems. [Internet] [Doctoral dissertation]. University of Oxford; 2014. [cited 2019 Oct 15]. Available from: http://ora.ox.ac.uk/objects/uuid:538d2d83-963e-4a51-81cd-4235e9761da4 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.635280.

Council of Science Editors:

Tucker AP. Local moment phases in quantum impurity problems. [Doctoral Dissertation]. University of Oxford; 2014. Available from: http://ora.ox.ac.uk/objects/uuid:538d2d83-963e-4a51-81cd-4235e9761da4 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.635280

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