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You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 1615 total matches.

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University of Oklahoma

1. Wallace, Jason Avery. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.

Degree: PhD, 2012, University of Oklahoma

 Lastly, we combine the generalized reaction field treament of long-range electrostatics and a charge-neutralization procedure which together allow fully explicit-solvent CpHMD (ECpHMD) to deliver pKa… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Wallace, J. A. (2012). CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/319485

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed July 02, 2020. http://hdl.handle.net/11244/319485.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 02 Jul 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/11244/319485.

Council of Science Editors:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Doctoral Dissertation]. University of Oklahoma; 2012. Available from: http://hdl.handle.net/11244/319485


University of Oklahoma

2. Wallace, Jason Avery. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.

Degree: PhD, 2012, University of Oklahoma

 Lastly, we combine the generalized reaction field treament of long-range electrostatics and a charge-neutralization procedure which together allow fully explicit-solvent CpHMD (ECpHMD) to deliver pKa… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Wallace, J. A. (2012). CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/318535

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed July 02, 2020. http://hdl.handle.net/11244/318535.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 02 Jul 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/11244/318535.

Council of Science Editors:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Doctoral Dissertation]. University of Oklahoma; 2012. Available from: http://hdl.handle.net/11244/318535

3. Bao, Jie. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.

Degree: PhD, Chemistry, 2011, Brown University

 Understanding the molecular structural dynamics of highly excited, large molecules on various dynamics levels has been a challenge for both experimentalists and theorists. We approach… (more)

Subjects/Keywords: Ultrafast Molecular Dynamics

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APA (6th Edition):

Bao, J. (2011). Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. (Doctoral Dissertation). Brown University. Retrieved from https://repository.library.brown.edu/studio/item/bdr:11189/

Chicago Manual of Style (16th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Doctoral Dissertation, Brown University. Accessed July 02, 2020. https://repository.library.brown.edu/studio/item/bdr:11189/.

MLA Handbook (7th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Web. 02 Jul 2020.

Vancouver:

Bao J. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. [Internet] [Doctoral dissertation]. Brown University; 2011. [cited 2020 Jul 02]. Available from: https://repository.library.brown.edu/studio/item/bdr:11189/.

Council of Science Editors:

Bao J. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. [Doctoral Dissertation]. Brown University; 2011. Available from: https://repository.library.brown.edu/studio/item/bdr:11189/


University of Manchester

4. Gowers, Richard. Developing dual-scale models for structured liquids and polymeric materials.

Degree: 2016, University of Manchester

 Computer simulation techniques for exploring the microscopic world are quickly gaining popularity as a tool to complement theoretical and experimental approaches. Molecular dynamics (MD) simulations… (more)

Subjects/Keywords: molecular dynamics; multiscale

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APA (6th Edition):

Gowers, R. (2016). Developing dual-scale models for structured liquids and polymeric materials. (Doctoral Dissertation). University of Manchester. Retrieved from http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532

Chicago Manual of Style (16th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Doctoral Dissertation, University of Manchester. Accessed July 02, 2020. http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532.

MLA Handbook (7th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Web. 02 Jul 2020.

Vancouver:

Gowers R. Developing dual-scale models for structured liquids and polymeric materials. [Internet] [Doctoral dissertation]. University of Manchester; 2016. [cited 2020 Jul 02]. Available from: http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532.

Council of Science Editors:

Gowers R. Developing dual-scale models for structured liquids and polymeric materials. [Doctoral Dissertation]. University of Manchester; 2016. Available from: http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532


McMaster University

5. Saidi, Peyman. Simulation Based Study of Solidification in Aluminum-Silicon System.

Degree: PhD, 2015, McMaster University

Using molecular dynamics (MD) and boundary element method (BEM), different aspects of solidification in the aluminum silicon system are studied. The angular embedding atom model… (more)

Subjects/Keywords: Molecular Dynamics; Solidification

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APA (6th Edition):

Saidi, P. (2015). Simulation Based Study of Solidification in Aluminum-Silicon System. (Doctoral Dissertation). McMaster University. Retrieved from http://hdl.handle.net/11375/18358

Chicago Manual of Style (16th Edition):

Saidi, Peyman. “Simulation Based Study of Solidification in Aluminum-Silicon System.” 2015. Doctoral Dissertation, McMaster University. Accessed July 02, 2020. http://hdl.handle.net/11375/18358.

MLA Handbook (7th Edition):

Saidi, Peyman. “Simulation Based Study of Solidification in Aluminum-Silicon System.” 2015. Web. 02 Jul 2020.

Vancouver:

Saidi P. Simulation Based Study of Solidification in Aluminum-Silicon System. [Internet] [Doctoral dissertation]. McMaster University; 2015. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/11375/18358.

Council of Science Editors:

Saidi P. Simulation Based Study of Solidification in Aluminum-Silicon System. [Doctoral Dissertation]. McMaster University; 2015. Available from: http://hdl.handle.net/11375/18358


University of Oklahoma

6. Konatham, Deepthi. Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations.

Degree: PhD, 2014, University of Oklahoma

 In the second part of the thesis umbrella sampling simulations were employed to study the transport of water molecules and ions through the membranes incorporating… (more)

Subjects/Keywords: graphene; molecular dynamics

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APA (6th Edition):

Konatham, D. (2014). Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/13876

Chicago Manual of Style (16th Edition):

Konatham, Deepthi. “Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations.” 2014. Doctoral Dissertation, University of Oklahoma. Accessed July 02, 2020. http://hdl.handle.net/11244/13876.

MLA Handbook (7th Edition):

Konatham, Deepthi. “Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations.” 2014. Web. 02 Jul 2020.

Vancouver:

Konatham D. Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations. [Internet] [Doctoral dissertation]. University of Oklahoma; 2014. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/11244/13876.

Council of Science Editors:

Konatham D. Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations. [Doctoral Dissertation]. University of Oklahoma; 2014. Available from: http://hdl.handle.net/11244/13876


University of South Australia

7. Galea, Toni-Marie. Molecular dynamics simulations of shear in fluids and slip at the solid boundary.

Degree: PhD, 2003, University of South Australia

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Galea, T. (2003). Molecular dynamics simulations of shear in fluids and slip at the solid boundary. (Doctoral Dissertation). University of South Australia. Retrieved from http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759

Chicago Manual of Style (16th Edition):

Galea, Toni-Marie. “Molecular dynamics simulations of shear in fluids and slip at the solid boundary.” 2003. Doctoral Dissertation, University of South Australia. Accessed July 02, 2020. http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759.

MLA Handbook (7th Edition):

Galea, Toni-Marie. “Molecular dynamics simulations of shear in fluids and slip at the solid boundary.” 2003. Web. 02 Jul 2020.

Vancouver:

Galea T. Molecular dynamics simulations of shear in fluids and slip at the solid boundary. [Internet] [Doctoral dissertation]. University of South Australia; 2003. [cited 2020 Jul 02]. Available from: http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759.

Council of Science Editors:

Galea T. Molecular dynamics simulations of shear in fluids and slip at the solid boundary. [Doctoral Dissertation]. University of South Australia; 2003. Available from: http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759


Louisiana State University

8. Singh, Ramesh. Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials.

Degree: PhD, Chemical Engineering, 2012, Louisiana State University

 The purpose of this research is to investigate the physical properties of ionic liquids (ILs) confined inside nanopores of different materials and morphologies. We are… (more)

Subjects/Keywords: Ionic Liquids; Molecular Dynamics; confinement

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APA (6th Edition):

Singh, R. (2012). Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-04262012-113406 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2863

Chicago Manual of Style (16th Edition):

Singh, Ramesh. “Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials.” 2012. Doctoral Dissertation, Louisiana State University. Accessed July 02, 2020. etd-04262012-113406 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2863.

MLA Handbook (7th Edition):

Singh, Ramesh. “Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials.” 2012. Web. 02 Jul 2020.

Vancouver:

Singh R. Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials. [Internet] [Doctoral dissertation]. Louisiana State University; 2012. [cited 2020 Jul 02]. Available from: etd-04262012-113406 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2863.

Council of Science Editors:

Singh R. Structural and dynamical properties of liquid and solid phases of ionic liquids confined inside nanoporous materials. [Doctoral Dissertation]. Louisiana State University; 2012. Available from: etd-04262012-113406 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2863

9. Jian, Cuiying. Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents.

Degree: PhD, Department of Mechanical Engineering, 2015, University of Alberta

 Aggregation of polyaromatic (PA) compounds has drawn great interest due to their wide impacts in areas such as petroleum processing. Despite the extensive studies on… (more)

Subjects/Keywords: Molecular dynamics; Polyaromatic compounds; Aggregation

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APA (6th Edition):

Jian, C. (2015). Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents. (Doctoral Dissertation). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/qj72p9692

Chicago Manual of Style (16th Edition):

Jian, Cuiying. “Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents.” 2015. Doctoral Dissertation, University of Alberta. Accessed July 02, 2020. https://era.library.ualberta.ca/files/qj72p9692.

MLA Handbook (7th Edition):

Jian, Cuiying. “Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents.” 2015. Web. 02 Jul 2020.

Vancouver:

Jian C. Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents. [Internet] [Doctoral dissertation]. University of Alberta; 2015. [cited 2020 Jul 02]. Available from: https://era.library.ualberta.ca/files/qj72p9692.

Council of Science Editors:

Jian C. Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents. [Doctoral Dissertation]. University of Alberta; 2015. Available from: https://era.library.ualberta.ca/files/qj72p9692


Oregon State University

10. Bozlee, Brian J. Application of laser spectroscopy to structure and dynamics of small molecular systems.

Degree: PhD, Chemistry, 1986, Oregon State University

 A variety of laser spectroscopic methods are employed in this thesis research for studies of CF₃NO, an interesting model photodissociative system, and for investigation of… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Bozlee, B. J. (1986). Application of laser spectroscopy to structure and dynamics of small molecular systems. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/40060

Chicago Manual of Style (16th Edition):

Bozlee, Brian J. “Application of laser spectroscopy to structure and dynamics of small molecular systems.” 1986. Doctoral Dissertation, Oregon State University. Accessed July 02, 2020. http://hdl.handle.net/1957/40060.

MLA Handbook (7th Edition):

Bozlee, Brian J. “Application of laser spectroscopy to structure and dynamics of small molecular systems.” 1986. Web. 02 Jul 2020.

Vancouver:

Bozlee BJ. Application of laser spectroscopy to structure and dynamics of small molecular systems. [Internet] [Doctoral dissertation]. Oregon State University; 1986. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1957/40060.

Council of Science Editors:

Bozlee BJ. Application of laser spectroscopy to structure and dynamics of small molecular systems. [Doctoral Dissertation]. Oregon State University; 1986. Available from: http://hdl.handle.net/1957/40060


University of Rochester

11. Tubbs, Jason Daniel (1981 - ). Computational and experimental advances in the RNA therapeutic pipeline.

Degree: PhD, 2013, University of Rochester

 The results in this thesis contribute to an RNA therapeutic pipeline. This pipeline starts with genomic sequences and finishes with 3D structures providing structural insight… (more)

Subjects/Keywords: CCCC; Molecular Dynamics; NMR; RNA

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APA (6th Edition):

Tubbs, J. D. (. -. ). (2013). Computational and experimental advances in the RNA therapeutic pipeline. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/27898

Chicago Manual of Style (16th Edition):

Tubbs, Jason Daniel (1981 - ). “Computational and experimental advances in the RNA therapeutic pipeline.” 2013. Doctoral Dissertation, University of Rochester. Accessed July 02, 2020. http://hdl.handle.net/1802/27898.

MLA Handbook (7th Edition):

Tubbs, Jason Daniel (1981 - ). “Computational and experimental advances in the RNA therapeutic pipeline.” 2013. Web. 02 Jul 2020.

Vancouver:

Tubbs JD(-). Computational and experimental advances in the RNA therapeutic pipeline. [Internet] [Doctoral dissertation]. University of Rochester; 2013. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1802/27898.

Council of Science Editors:

Tubbs JD(-). Computational and experimental advances in the RNA therapeutic pipeline. [Doctoral Dissertation]. University of Rochester; 2013. Available from: http://hdl.handle.net/1802/27898


Oregon State University

12. Breshears, Wilbert Dale. A spectrophone study of vibrational relaxation in methane.

Degree: PhD, Chemistry, 1965, Oregon State University

 The spectrophone method for the study of vibrational relaxation has been claimed to possess a distinct advantage over the more commonly used ultrasonic techniques in… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Breshears, W. D. (1965). A spectrophone study of vibrational relaxation in methane. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/47579

Chicago Manual of Style (16th Edition):

Breshears, Wilbert Dale. “A spectrophone study of vibrational relaxation in methane.” 1965. Doctoral Dissertation, Oregon State University. Accessed July 02, 2020. http://hdl.handle.net/1957/47579.

MLA Handbook (7th Edition):

Breshears, Wilbert Dale. “A spectrophone study of vibrational relaxation in methane.” 1965. Web. 02 Jul 2020.

Vancouver:

Breshears WD. A spectrophone study of vibrational relaxation in methane. [Internet] [Doctoral dissertation]. Oregon State University; 1965. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1957/47579.

Council of Science Editors:

Breshears WD. A spectrophone study of vibrational relaxation in methane. [Doctoral Dissertation]. Oregon State University; 1965. Available from: http://hdl.handle.net/1957/47579


Oregon State University

13. Rojhantalab, Hossein Mohammad. Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals.

Degree: PhD, Chemistry, 1976, Oregon State University

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Rojhantalab, H. M. (1976). Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/44816

Chicago Manual of Style (16th Edition):

Rojhantalab, Hossein Mohammad. “Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals.” 1976. Doctoral Dissertation, Oregon State University. Accessed July 02, 2020. http://hdl.handle.net/1957/44816.

MLA Handbook (7th Edition):

Rojhantalab, Hossein Mohammad. “Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals.” 1976. Web. 02 Jul 2020.

Vancouver:

Rojhantalab HM. Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals. [Internet] [Doctoral dissertation]. Oregon State University; 1976. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1957/44816.

Council of Science Editors:

Rojhantalab HM. Spectroscopic studies of molecular dynamics and structure at low temperature : I. Torsional barriers for multitop molecules. II. Vibrational energy transfer. III. Carbon trihalide free radicals. [Doctoral Dissertation]. Oregon State University; 1976. Available from: http://hdl.handle.net/1957/44816


Texas A&M University

14. Feng, Feng. Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation.

Degree: PhD, Petroleum Engineering, 2019, Texas A&M University

 Transport of small hydrocarbon molecules inside organic nanopores is important to our understanding of oil and gas production from source rocks such as shale. Unlike… (more)

Subjects/Keywords: transport; kerogen; nanopores; molecular dynamics

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APA (6th Edition):

Feng, F. (2019). Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/184117

Chicago Manual of Style (16th Edition):

Feng, Feng. “Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation.” 2019. Doctoral Dissertation, Texas A&M University. Accessed July 02, 2020. http://hdl.handle.net/1969.1/184117.

MLA Handbook (7th Edition):

Feng, Feng. “Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation.” 2019. Web. 02 Jul 2020.

Vancouver:

Feng F. Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation. [Internet] [Doctoral dissertation]. Texas A&M University; 2019. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1969.1/184117.

Council of Science Editors:

Feng F. Reservoir Fluid Transport in Organic Nanopores with Molecular Modeling and Simulation. [Doctoral Dissertation]. Texas A&M University; 2019. Available from: http://hdl.handle.net/1969.1/184117


Boston University

15. Verma, Rashi. A supercooled study of nucleation and symmetries.

Degree: PhD, Physics, 2018, Boston University

 Nucleation is the process by which a metastable phase decays into a stable phase. It is widely observed in nature, and is responsible for many… (more)

Subjects/Keywords: Physics; Molecular dynamics; Nucleation; Symmetries

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APA (6th Edition):

Verma, R. (2018). A supercooled study of nucleation and symmetries. (Doctoral Dissertation). Boston University. Retrieved from http://hdl.handle.net/2144/34779

Chicago Manual of Style (16th Edition):

Verma, Rashi. “A supercooled study of nucleation and symmetries.” 2018. Doctoral Dissertation, Boston University. Accessed July 02, 2020. http://hdl.handle.net/2144/34779.

MLA Handbook (7th Edition):

Verma, Rashi. “A supercooled study of nucleation and symmetries.” 2018. Web. 02 Jul 2020.

Vancouver:

Verma R. A supercooled study of nucleation and symmetries. [Internet] [Doctoral dissertation]. Boston University; 2018. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/2144/34779.

Council of Science Editors:

Verma R. A supercooled study of nucleation and symmetries. [Doctoral Dissertation]. Boston University; 2018. Available from: http://hdl.handle.net/2144/34779

16. Pauvert, Olivier. Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies.

Degree: Docteur es, Chimie des matériaux, 2009, Université d'Orléans

Dans le cadre du renouvellement du parc nucléaire, six modèles de réacteurs de 4ème génération ont été proposés, dont le Réacteur à Sels Fondus. Ce… (more)

Subjects/Keywords: Dynamique moléculaire; Molecular dynamics

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APA (6th Edition):

Pauvert, O. (2009). Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies. (Doctoral Dissertation). Université d'Orléans. Retrieved from http://www.theses.fr/2009ORLE2065

Chicago Manual of Style (16th Edition):

Pauvert, Olivier. “Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies.” 2009. Doctoral Dissertation, Université d'Orléans. Accessed July 02, 2020. http://www.theses.fr/2009ORLE2065.

MLA Handbook (7th Edition):

Pauvert, Olivier. “Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies.” 2009. Web. 02 Jul 2020.

Vancouver:

Pauvert O. Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies. [Internet] [Doctoral dissertation]. Université d'Orléans; 2009. [cited 2020 Jul 02]. Available from: http://www.theses.fr/2009ORLE2065.

Council of Science Editors:

Pauvert O. Etude structurale de sels fondus d'intérêts nucléaires par RMN et EXAFS haute température : Structural investigation of molten fluorides of nuclear interest by NMR and XAFS spectroscopies. [Doctoral Dissertation]. Université d'Orléans; 2009. Available from: http://www.theses.fr/2009ORLE2065

17. Summers, Andrew Zachary. Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation.

Degree: PhD, Chemical Engineering, 2019, Vanderbilt University

 The lifetimes of micro- and nanoelectromechanical systems (MEMS/NEMS), devices featuring both electronic and mechanical components with feature lengths on the micro- to nanoscale, are threatened… (more)

Subjects/Keywords: molecular dynamics; tribology; alkylsilane monolayers

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APA (6th Edition):

Summers, A. Z. (2019). Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu/available/etd-01142019-201036/ ;

Chicago Manual of Style (16th Edition):

Summers, Andrew Zachary. “Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation.” 2019. Doctoral Dissertation, Vanderbilt University. Accessed July 02, 2020. http://etd.library.vanderbilt.edu/available/etd-01142019-201036/ ;.

MLA Handbook (7th Edition):

Summers, Andrew Zachary. “Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation.” 2019. Web. 02 Jul 2020.

Vancouver:

Summers AZ. Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation. [Internet] [Doctoral dissertation]. Vanderbilt University; 2019. [cited 2020 Jul 02]. Available from: http://etd.library.vanderbilt.edu/available/etd-01142019-201036/ ;.

Council of Science Editors:

Summers AZ. Tribological Examination of Alkylsilane Monolayer Films via Molecular Dynamics Simulation. [Doctoral Dissertation]. Vanderbilt University; 2019. Available from: http://etd.library.vanderbilt.edu/available/etd-01142019-201036/ ;


University of New South Wales

18. Yue, Jeffrey. Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites.

Degree: Materials Science & Engineering, 2011, University of New South Wales

 Iron oxyhydroxide and oxide nanoparticles have shown potential capabilities in the field of nanoelectronics, clean energy, and biomedicine. The studies of the physical and chemical… (more)

Subjects/Keywords: Molecular Dynamics; Iron Oxide; Nanoparticles

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APA (6th Edition):

Yue, J. (2011). Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/51857 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10524/SOURCE02?view=true

Chicago Manual of Style (16th Edition):

Yue, Jeffrey. “Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites.” 2011. Doctoral Dissertation, University of New South Wales. Accessed July 02, 2020. http://handle.unsw.edu.au/1959.4/51857 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10524/SOURCE02?view=true.

MLA Handbook (7th Edition):

Yue, Jeffrey. “Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites.” 2011. Web. 02 Jul 2020.

Vancouver:

Yue J. Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites. [Internet] [Doctoral dissertation]. University of New South Wales; 2011. [cited 2020 Jul 02]. Available from: http://handle.unsw.edu.au/1959.4/51857 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10524/SOURCE02?view=true.

Council of Science Editors:

Yue J. Experimental and theoretical study of low-dimensional iron oxide nanoparticles and their nanocomposites. [Doctoral Dissertation]. University of New South Wales; 2011. Available from: http://handle.unsw.edu.au/1959.4/51857 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10524/SOURCE02?view=true


University of New South Wales

19. Sun, Weifu. Molecular dynamics studies on inter-nanoparticles forces.

Degree: Materials Science & Engineering, 2012, University of New South Wales

 The continuum approach to describing interparticle forces, such as Hamaker approach for van der Waals (vdW) attraction force and Born repulsion force, Hertz model for… (more)

Subjects/Keywords: Hamaker approach; Nanoparticle; Molecular dynamics

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APA (6th Edition):

Sun, W. (2012). Molecular dynamics studies on inter-nanoparticles forces. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/52233 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10903/SOURCE01?view=true

Chicago Manual of Style (16th Edition):

Sun, Weifu. “Molecular dynamics studies on inter-nanoparticles forces.” 2012. Doctoral Dissertation, University of New South Wales. Accessed July 02, 2020. http://handle.unsw.edu.au/1959.4/52233 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10903/SOURCE01?view=true.

MLA Handbook (7th Edition):

Sun, Weifu. “Molecular dynamics studies on inter-nanoparticles forces.” 2012. Web. 02 Jul 2020.

Vancouver:

Sun W. Molecular dynamics studies on inter-nanoparticles forces. [Internet] [Doctoral dissertation]. University of New South Wales; 2012. [cited 2020 Jul 02]. Available from: http://handle.unsw.edu.au/1959.4/52233 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10903/SOURCE01?view=true.

Council of Science Editors:

Sun W. Molecular dynamics studies on inter-nanoparticles forces. [Doctoral Dissertation]. University of New South Wales; 2012. Available from: http://handle.unsw.edu.au/1959.4/52233 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10903/SOURCE01?view=true


Victoria University of Wellington

20. Dhondi, Srikanth. Numerical Simulations of Polymers at the Nanoscale.

Degree: 2011, Victoria University of Wellington

 In this thesis we study a variety of nanoscale phenomena in certain polymer systems using a combination of numerical simulation methods and mathematical modelling. The… (more)

Subjects/Keywords: Molecular dynamics; Microfluidic mixing

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APA (6th Edition):

Dhondi, S. (2011). Numerical Simulations of Polymers at the Nanoscale. (Doctoral Dissertation). Victoria University of Wellington. Retrieved from http://hdl.handle.net/10063/1753

Chicago Manual of Style (16th Edition):

Dhondi, Srikanth. “Numerical Simulations of Polymers at the Nanoscale.” 2011. Doctoral Dissertation, Victoria University of Wellington. Accessed July 02, 2020. http://hdl.handle.net/10063/1753.

MLA Handbook (7th Edition):

Dhondi, Srikanth. “Numerical Simulations of Polymers at the Nanoscale.” 2011. Web. 02 Jul 2020.

Vancouver:

Dhondi S. Numerical Simulations of Polymers at the Nanoscale. [Internet] [Doctoral dissertation]. Victoria University of Wellington; 2011. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/10063/1753.

Council of Science Editors:

Dhondi S. Numerical Simulations of Polymers at the Nanoscale. [Doctoral Dissertation]. Victoria University of Wellington; 2011. Available from: http://hdl.handle.net/10063/1753

21. André, Joseph. Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes.

Degree: Docteur es, Bioinformatique, 2012, Evry-Val d'Essonne

Les microtubules sont des polymères cylindriques de tubuline-αβ, membres du cytosquelette eucaryote. Ils possèdent une dynamique intrinsèque nécessaire à de nombreuses fonctions cellulaires telle que… (more)

Subjects/Keywords: Nucléotide; Nucleotide; Molecular dynamics; Colchicine

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APA (6th Edition):

André, J. (2012). Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes. (Doctoral Dissertation). Evry-Val d'Essonne. Retrieved from http://www.theses.fr/2011EVRY0026

Chicago Manual of Style (16th Edition):

André, Joseph. “Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes.” 2012. Doctoral Dissertation, Evry-Val d'Essonne. Accessed July 02, 2020. http://www.theses.fr/2011EVRY0026.

MLA Handbook (7th Edition):

André, Joseph. “Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes.” 2012. Web. 02 Jul 2020.

Vancouver:

André J. Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes. [Internet] [Doctoral dissertation]. Evry-Val d'Essonne; 2012. [cited 2020 Jul 02]. Available from: http://www.theses.fr/2011EVRY0026.

Council of Science Editors:

André J. Modélisation moléculaire de complexes Tubuline-Ligand : Molecular modeling of Tubulin-Ligand complexes. [Doctoral Dissertation]. Evry-Val d'Essonne; 2012. Available from: http://www.theses.fr/2011EVRY0026


University of New South Wales

22. Sul, Jung Hoon. A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials.

Degree: Mechanical & Manufacturing Engineering, 2015, University of New South Wales

 A molecular dynamics (MD) approach to investigating the structural performance of thermosetting epoxy resin in fibre-reinforced composites is developed in this thesis. There has been… (more)

Subjects/Keywords: Molecular dynamics; Epoxy; Composites

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APA (6th Edition):

Sul, J. H. (2015). A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/54710 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:35618/SOURCE02?view=true

Chicago Manual of Style (16th Edition):

Sul, Jung Hoon. “A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials.” 2015. Doctoral Dissertation, University of New South Wales. Accessed July 02, 2020. http://handle.unsw.edu.au/1959.4/54710 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:35618/SOURCE02?view=true.

MLA Handbook (7th Edition):

Sul, Jung Hoon. “A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials.” 2015. Web. 02 Jul 2020.

Vancouver:

Sul JH. A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials. [Internet] [Doctoral dissertation]. University of New South Wales; 2015. [cited 2020 Jul 02]. Available from: http://handle.unsw.edu.au/1959.4/54710 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:35618/SOURCE02?view=true.

Council of Science Editors:

Sul JH. A molecular dynamics study on performance improvement of nano-modified epoxy matrix in fibre-reinforced composite materials. [Doctoral Dissertation]. University of New South Wales; 2015. Available from: http://handle.unsw.edu.au/1959.4/54710 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:35618/SOURCE02?view=true


University of Oklahoma

23. Argyris, Dimitrios. Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface.

Degree: PhD, 2010, University of Oklahoma

 Interfacial water properties determine a number of phenomena in geology, biological systems, and ion-exchange processes. The behavior of water at the solid-liquid interface plays an… (more)

Subjects/Keywords: Solid-liquid interfaces; Molecular dynamics

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APA (6th Edition):

Argyris, D. (2010). Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/318900

Chicago Manual of Style (16th Edition):

Argyris, Dimitrios. “Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface.” 2010. Doctoral Dissertation, University of Oklahoma. Accessed July 02, 2020. http://hdl.handle.net/11244/318900.

MLA Handbook (7th Edition):

Argyris, Dimitrios. “Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface.” 2010. Web. 02 Jul 2020.

Vancouver:

Argyris D. Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface. [Internet] [Doctoral dissertation]. University of Oklahoma; 2010. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/11244/318900.

Council of Science Editors:

Argyris D. Molecular Dynamics Simulations of Aqueous Systems at the Solid-Liquid Interface. [Doctoral Dissertation]. University of Oklahoma; 2010. Available from: http://hdl.handle.net/11244/318900


University of Manchester

24. Gowers, Richard. Developing dual-scale models for structured liquids and polymeric materials.

Degree: PhD, 2016, University of Manchester

 Computer simulation techniques for exploring the microscopic world are quickly gaining popularity as a tool to complement theoretical and experimental approaches. Molecular dynamics (MD) simulations… (more)

Subjects/Keywords: 541; molecular dynamics; multiscale

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APA (6th Edition):

Gowers, R. (2016). Developing dual-scale models for structured liquids and polymeric materials. (Doctoral Dissertation). University of Manchester. Retrieved from https://www.research.manchester.ac.uk/portal/en/theses/developing-dualscale-models-for-structured-liquids-and-polymeric-materials(edfe6991-79de-45a9-84e4-9e9dfb68faa4).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.694299

Chicago Manual of Style (16th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Doctoral Dissertation, University of Manchester. Accessed July 02, 2020. https://www.research.manchester.ac.uk/portal/en/theses/developing-dualscale-models-for-structured-liquids-and-polymeric-materials(edfe6991-79de-45a9-84e4-9e9dfb68faa4).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.694299.

MLA Handbook (7th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Web. 02 Jul 2020.

Vancouver:

Gowers R. Developing dual-scale models for structured liquids and polymeric materials. [Internet] [Doctoral dissertation]. University of Manchester; 2016. [cited 2020 Jul 02]. Available from: https://www.research.manchester.ac.uk/portal/en/theses/developing-dualscale-models-for-structured-liquids-and-polymeric-materials(edfe6991-79de-45a9-84e4-9e9dfb68faa4).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.694299.

Council of Science Editors:

Gowers R. Developing dual-scale models for structured liquids and polymeric materials. [Doctoral Dissertation]. University of Manchester; 2016. Available from: https://www.research.manchester.ac.uk/portal/en/theses/developing-dualscale-models-for-structured-liquids-and-polymeric-materials(edfe6991-79de-45a9-84e4-9e9dfb68faa4).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.694299

25. Bass, Joseph Louis. Nonholonomic Hamiltonian method for reacting molecular dynamics.

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

 Macroscale, mesoscale, and ab initio models of reacting shock physics are based, in their most general forms, on rate law descriptions of the chemical processes… (more)

Subjects/Keywords: Molecular dynamics; Chemical kinetics

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APA (6th Edition):

Bass, J. L. (2017). Nonholonomic Hamiltonian method for reacting molecular dynamics. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/62169

Chicago Manual of Style (16th Edition):

Bass, Joseph Louis. “Nonholonomic Hamiltonian method for reacting molecular dynamics.” 2017. Doctoral Dissertation, University of Texas – Austin. Accessed July 02, 2020. http://hdl.handle.net/2152/62169.

MLA Handbook (7th Edition):

Bass, Joseph Louis. “Nonholonomic Hamiltonian method for reacting molecular dynamics.” 2017. Web. 02 Jul 2020.

Vancouver:

Bass JL. Nonholonomic Hamiltonian method for reacting molecular dynamics. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2017. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/2152/62169.

Council of Science Editors:

Bass JL. Nonholonomic Hamiltonian method for reacting molecular dynamics. [Doctoral Dissertation]. University of Texas – Austin; 2017. Available from: http://hdl.handle.net/2152/62169


Rutgers University

26. Chong, Leebyn Thomas. Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces.

Degree: PhD, Chemical and Biochemical Engineering, 2015, Rutgers University

Interfacial phenomena and the associated kinetic, thermodynamic and structural properties are relevant in a variety of applications spanning energy, sustainability and medicine. Catalytic materials for… (more)

Subjects/Keywords: Molecular dynamics; Surface chemistry

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APA (6th Edition):

Chong, L. T. (2015). Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/48437/

Chicago Manual of Style (16th Edition):

Chong, Leebyn Thomas. “Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces.” 2015. Doctoral Dissertation, Rutgers University. Accessed July 02, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/48437/.

MLA Handbook (7th Edition):

Chong, Leebyn Thomas. “Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces.” 2015. Web. 02 Jul 2020.

Vancouver:

Chong LT. Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces. [Internet] [Doctoral dissertation]. Rutgers University; 2015. [cited 2020 Jul 02]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/48437/.

Council of Science Editors:

Chong LT. Computational studies of interfacial phenomena via nanoscale modeling of functionalized surfaces. [Doctoral Dissertation]. Rutgers University; 2015. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/48437/


University of Iowa

27. Lay, Wesley K. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.

Degree: PhD, Biochemistry, 2018, University of Iowa

  Computer simulations allow researchers to study the dynamics and interactions of biological molecules in ways that cannot be currently achieved in experiments. In this… (more)

Subjects/Keywords: Computer Simulations; Molecular Dynamics; Biochemistry

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APA (6th Edition):

Lay, W. K. (2018). Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. (Doctoral Dissertation). University of Iowa. Retrieved from https://ir.uiowa.edu/etd/6603

Chicago Manual of Style (16th Edition):

Lay, Wesley K. “Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.” 2018. Doctoral Dissertation, University of Iowa. Accessed July 02, 2020. https://ir.uiowa.edu/etd/6603.

MLA Handbook (7th Edition):

Lay, Wesley K. “Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.” 2018. Web. 02 Jul 2020.

Vancouver:

Lay WK. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. [Internet] [Doctoral dissertation]. University of Iowa; 2018. [cited 2020 Jul 02]. Available from: https://ir.uiowa.edu/etd/6603.

Council of Science Editors:

Lay WK. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. [Doctoral Dissertation]. University of Iowa; 2018. Available from: https://ir.uiowa.edu/etd/6603


University of Houston

28. Gouissem, Afif. Atomistic Investigation of High Temperature Material Behavior.

Degree: PhD, Mechanical Engineering, 2014, University of Houston

 High temperature mechanical behavior of materials is of critical importance in a variety of contexts: next-generation reentry vehicles, hyper sonic flights, nuclear plants, engines, among… (more)

Subjects/Keywords: UHTC; Accelerated molecular dynamics; Creep

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APA (6th Edition):

Gouissem, A. (2014). Atomistic Investigation of High Temperature Material Behavior. (Doctoral Dissertation). University of Houston. Retrieved from http://hdl.handle.net/10657/1821

Chicago Manual of Style (16th Edition):

Gouissem, Afif. “Atomistic Investigation of High Temperature Material Behavior.” 2014. Doctoral Dissertation, University of Houston. Accessed July 02, 2020. http://hdl.handle.net/10657/1821.

MLA Handbook (7th Edition):

Gouissem, Afif. “Atomistic Investigation of High Temperature Material Behavior.” 2014. Web. 02 Jul 2020.

Vancouver:

Gouissem A. Atomistic Investigation of High Temperature Material Behavior. [Internet] [Doctoral dissertation]. University of Houston; 2014. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/10657/1821.

Council of Science Editors:

Gouissem A. Atomistic Investigation of High Temperature Material Behavior. [Doctoral Dissertation]. University of Houston; 2014. Available from: http://hdl.handle.net/10657/1821


University of Houston

29. Patel, Kush 1991-. Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads.

Degree: PhD, Chemistry, 2019, University of Houston

 Marcus theory predicts electron transfer rates between donor and acceptor systems. Since its inception in the 1950's, this theory has been widely applied to topics… (more)

Subjects/Keywords: Molecular dynamics; Charge transfer

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APA (6th Edition):

Patel, K. 1. (2019). Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads. (Doctoral Dissertation). University of Houston. Retrieved from http://hdl.handle.net/10657/4696

Chicago Manual of Style (16th Edition):

Patel, Kush 1991-. “Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads.” 2019. Doctoral Dissertation, University of Houston. Accessed July 02, 2020. http://hdl.handle.net/10657/4696.

MLA Handbook (7th Edition):

Patel, Kush 1991-. “Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads.” 2019. Web. 02 Jul 2020.

Vancouver:

Patel K1. Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads. [Internet] [Doctoral dissertation]. University of Houston; 2019. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/10657/4696.

Council of Science Editors:

Patel K1. Mixed Quantum-Classical Simulations on Model Donor-Bridge-Acceptor Triads. [Doctoral Dissertation]. University of Houston; 2019. Available from: http://hdl.handle.net/10657/4696


Rice University

30. Hruska, Eugen. Adaptive sampling of Conformational Dynamics.

Degree: PhD, Natural Sciences, 2020, Rice University

 At the core of our limited ability to understand many biophysical processes is the challenge of predicting the conformational dynamics of biomolecules. This challenge includes… (more)

Subjects/Keywords: protein folding; molecular dynamics

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APA (6th Edition):

Hruska, E. (2020). Adaptive sampling of Conformational Dynamics. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/108744

Chicago Manual of Style (16th Edition):

Hruska, Eugen. “Adaptive sampling of Conformational Dynamics.” 2020. Doctoral Dissertation, Rice University. Accessed July 02, 2020. http://hdl.handle.net/1911/108744.

MLA Handbook (7th Edition):

Hruska, Eugen. “Adaptive sampling of Conformational Dynamics.” 2020. Web. 02 Jul 2020.

Vancouver:

Hruska E. Adaptive sampling of Conformational Dynamics. [Internet] [Doctoral dissertation]. Rice University; 2020. [cited 2020 Jul 02]. Available from: http://hdl.handle.net/1911/108744.

Council of Science Editors:

Hruska E. Adaptive sampling of Conformational Dynamics. [Doctoral Dissertation]. Rice University; 2020. Available from: http://hdl.handle.net/1911/108744

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