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You searched for subject:(computational chemistry). Showing records 1 – 30 of 750 total matches.

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Duke University

1. LIU, CHI. Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches .

Degree: 2019, Duke University

  Three-dimensional (3D) Hybrid Organic-Inorganic Perovskites (HOIPs) have been investigated intensively for application in photovoltaics in the last decade due to their extraordinary properties, including… (more)

Subjects/Keywords: Chemistry; Computational chemistry; Computational physics

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APA (6th Edition):

LIU, C. (2019). Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches . (Thesis). Duke University. Retrieved from http://hdl.handle.net/10161/19837

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):

LIU, CHI. “Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches .” 2019. Thesis, Duke University. Accessed October 26, 2020. http://hdl.handle.net/10161/19837.

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

MLA Handbook (7th Edition):

LIU, CHI. “Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches .” 2019. Web. 26 Oct 2020.

Vancouver:

LIU C. Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches . [Internet] [Thesis]. Duke University; 2019. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10161/19837.

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

Council of Science Editors:

LIU C. Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches . [Thesis]. Duke University; 2019. Available from: http://hdl.handle.net/10161/19837

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


University of Oxford

2. Tan, Jacqueline Si Jia. Quantum chemical simulations of radical cation chemistry.

Degree: PhD, 2020, University of Oxford

 The Diels-Alder (DA) reaction is among the most important and versatile methods in creating ring molecules, and factors governing stereoselectivity and rate have been widely… (more)

Subjects/Keywords: Computational Chemistry

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APA (6th Edition):

Tan, J. S. J. (2020). Quantum chemical simulations of radical cation chemistry. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:51101cf3-6242-4052-aa97-9c14ff707217 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.800063

Chicago Manual of Style (16th Edition):

Tan, Jacqueline Si Jia. “Quantum chemical simulations of radical cation chemistry.” 2020. Doctoral Dissertation, University of Oxford. Accessed October 26, 2020. http://ora.ox.ac.uk/objects/uuid:51101cf3-6242-4052-aa97-9c14ff707217 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.800063.

MLA Handbook (7th Edition):

Tan, Jacqueline Si Jia. “Quantum chemical simulations of radical cation chemistry.” 2020. Web. 26 Oct 2020.

Vancouver:

Tan JSJ. Quantum chemical simulations of radical cation chemistry. [Internet] [Doctoral dissertation]. University of Oxford; 2020. [cited 2020 Oct 26]. Available from: http://ora.ox.ac.uk/objects/uuid:51101cf3-6242-4052-aa97-9c14ff707217 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.800063.

Council of Science Editors:

Tan JSJ. Quantum chemical simulations of radical cation chemistry. [Doctoral Dissertation]. University of Oxford; 2020. Available from: http://ora.ox.ac.uk/objects/uuid:51101cf3-6242-4052-aa97-9c14ff707217 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.800063

3. Pitts, Amanda. Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems.

Degree: 2013, Texas Digital Library

 Late transition metal species are heavily studied because of their diverse applications in industrial, synthetic, and biological processes. Transition metals can alter the thermodynamic aspects… (more)

Subjects/Keywords: Computational Chemistry

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APA (6th Edition):

Pitts, A. (2013). Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems. (Thesis). Texas Digital Library. Retrieved from http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66546

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):

Pitts, Amanda. “Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems.” 2013. Thesis, Texas Digital Library. Accessed October 26, 2020. http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66546.

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

MLA Handbook (7th Edition):

Pitts, Amanda. “Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems.” 2013. Web. 26 Oct 2020.

Vancouver:

Pitts A. Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems. [Internet] [Thesis]. Texas Digital Library; 2013. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66546.

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

Council of Science Editors:

Pitts A. Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems. [Thesis]. Texas Digital Library; 2013. Available from: http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66546

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


University of California – Irvine

4. Chu, Brian Kelly. Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology.

Degree: Chemical and Biochemical Engineering, 2019, University of California – Irvine

 Stochasticity (that is, randomness) is an inherent property of many biological systems. For example, gene expression is stochastic, resulting in random fluctuations of mRNA and… (more)

Subjects/Keywords: Computational chemistry

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APA (6th Edition):

Chu, B. K. (2019). Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology. (Thesis). University of California – Irvine. Retrieved from http://www.escholarship.org/uc/item/0v99k485

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):

Chu, Brian Kelly. “Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology.” 2019. Thesis, University of California – Irvine. Accessed October 26, 2020. http://www.escholarship.org/uc/item/0v99k485.

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

MLA Handbook (7th Edition):

Chu, Brian Kelly. “Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology.” 2019. Web. 26 Oct 2020.

Vancouver:

Chu BK. Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology. [Internet] [Thesis]. University of California – Irvine; 2019. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/0v99k485.

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

Council of Science Editors:

Chu BK. Improved Methods of Simulation and Analysis For Stochastic Processes in Cell Biology. [Thesis]. University of California – Irvine; 2019. Available from: http://www.escholarship.org/uc/item/0v99k485

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


University of California – San Diego

5. Joo, Paul Hyunggyu. A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization.

Degree: Materials Science and Engineering, 2019, University of California – San Diego

 MoS2-based catalysts have been used in the petroleum industry for decades and it is of long-term interests to improve their catalytic efficiency in a hydrodesulfurization… (more)

Subjects/Keywords: Computational chemistry

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APA (6th Edition):

Joo, P. H. (2019). A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/0sj6s2d2

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):

Joo, Paul Hyunggyu. “A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization.” 2019. Thesis, University of California – San Diego. Accessed October 26, 2020. http://www.escholarship.org/uc/item/0sj6s2d2.

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

MLA Handbook (7th Edition):

Joo, Paul Hyunggyu. “A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization.” 2019. Web. 26 Oct 2020.

Vancouver:

Joo PH. A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization. [Internet] [Thesis]. University of California – San Diego; 2019. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/0sj6s2d2.

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

Council of Science Editors:

Joo PH. A First-Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization. [Thesis]. University of California – San Diego; 2019. Available from: http://www.escholarship.org/uc/item/0sj6s2d2

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

6. Duarte Ramos Matos, Guilherme. Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies.

Degree: Chemistry, 2018, University of California – Irvine

 Free energy calculations play an essential role in the study of physical transformations and chemical reactions. Within the universe of free energy calculation applications, solvation… (more)

Subjects/Keywords: Computational chemistry

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APA (6th Edition):

Duarte Ramos Matos, G. (2018). Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies. (Thesis). University of California – Irvine. Retrieved from http://www.escholarship.org/uc/item/1tr0c2p0

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):

Duarte Ramos Matos, Guilherme. “Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies.” 2018. Thesis, University of California – Irvine. Accessed October 26, 2020. http://www.escholarship.org/uc/item/1tr0c2p0.

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

MLA Handbook (7th Edition):

Duarte Ramos Matos, Guilherme. “Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies.” 2018. Web. 26 Oct 2020.

Vancouver:

Duarte Ramos Matos G. Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies. [Internet] [Thesis]. University of California – Irvine; 2018. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/1tr0c2p0.

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

Council of Science Editors:

Duarte Ramos Matos G. Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies. [Thesis]. University of California – Irvine; 2018. Available from: http://www.escholarship.org/uc/item/1tr0c2p0

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

7. Tsai, Carol Leanne. Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts.

Degree: 2019, University of California, Santa Barbara

  Block copolymers are composed of chemically distinct polymer chains that can be covalently linked in a variety of sequences and architectures. They are ubiquitous… (more)

Subjects/Keywords: Computational physics; Computational chemistry

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APA (6th Edition):

Tsai, C. L. (2019). Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts. (Thesis). University of California, Santa Barbara. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=13423067

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):

Tsai, Carol Leanne. “Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts.” 2019. Thesis, University of California, Santa Barbara. Accessed October 26, 2020. http://pqdtopen.proquest.com/#viewpdf?dispub=13423067.

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

MLA Handbook (7th Edition):

Tsai, Carol Leanne. “Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts.” 2019. Web. 26 Oct 2020.

Vancouver:

Tsai CL. Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts. [Internet] [Thesis]. University of California, Santa Barbara; 2019. [cited 2020 Oct 26]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=13423067.

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

Council of Science Editors:

Tsai CL. Heuristic Algorithms for Agnostically Identifying the Globally Stable and Competitive Metastable Morphologies of Block Copolymer Melts. [Thesis]. University of California, Santa Barbara; 2019. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=13423067

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


Duke University

8. Al-Saadon, Rachael. Transformations and Photophysical Properties of Organic Molecules .

Degree: 2018, Duke University

  In this dissertation we set out to describe the excited state properties of organic molecules as well as the inherent reactivity of organic molecules… (more)

Subjects/Keywords: Chemistry; Computational chemistry; Molecular chemistry

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APA (6th Edition):

Al-Saadon, R. (2018). Transformations and Photophysical Properties of Organic Molecules . (Thesis). Duke University. Retrieved from http://hdl.handle.net/10161/16825

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):

Al-Saadon, Rachael. “Transformations and Photophysical Properties of Organic Molecules .” 2018. Thesis, Duke University. Accessed October 26, 2020. http://hdl.handle.net/10161/16825.

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

MLA Handbook (7th Edition):

Al-Saadon, Rachael. “Transformations and Photophysical Properties of Organic Molecules .” 2018. Web. 26 Oct 2020.

Vancouver:

Al-Saadon R. Transformations and Photophysical Properties of Organic Molecules . [Internet] [Thesis]. Duke University; 2018. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10161/16825.

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

Council of Science Editors:

Al-Saadon R. Transformations and Photophysical Properties of Organic Molecules . [Thesis]. Duke University; 2018. Available from: http://hdl.handle.net/10161/16825

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

9. Hartman, Joshua Douglas. Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.

Degree: Chemistry, 2015, University of California – Riverside

 First-principles chemical shielding tensor predictions play a critical role in studying molecular crystal structures using nuclear magnetic resonance. Fragment-based electronic structure methods have dramatically improved… (more)

Subjects/Keywords: Chemistry; Computational; Physical

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APA (6th Edition):

Hartman, J. D. (2015). Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals. (Thesis). University of California – Riverside. Retrieved from http://www.escholarship.org/uc/item/7jp4w5pn

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):

Hartman, Joshua Douglas. “Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.” 2015. Thesis, University of California – Riverside. Accessed October 26, 2020. http://www.escholarship.org/uc/item/7jp4w5pn.

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

MLA Handbook (7th Edition):

Hartman, Joshua Douglas. “Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.” 2015. Web. 26 Oct 2020.

Vancouver:

Hartman JD. Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals. [Internet] [Thesis]. University of California – Riverside; 2015. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/7jp4w5pn.

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

Council of Science Editors:

Hartman JD. Accurate and Efficient Methods for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals. [Thesis]. University of California – Riverside; 2015. Available from: http://www.escholarship.org/uc/item/7jp4w5pn

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

10. Keathley, Russell Hudson. Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease.

Degree: 2018, Icahn School of Medicine at Mount Sinai

  The solute carrier family (“SLC”) is a diverse group of membrane transporter proteins expressed ubiquitously throughout the human body. SLC members have been heavily… (more)

Subjects/Keywords: Computational chemistry; Pharmacology

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APA (6th Edition):

Keathley, R. H. (2018). Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease. (Thesis). Icahn School of Medicine at Mount Sinai. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10931576

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):

Keathley, Russell Hudson. “Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease.” 2018. Thesis, Icahn School of Medicine at Mount Sinai. Accessed October 26, 2020. http://pqdtopen.proquest.com/#viewpdf?dispub=10931576.

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

MLA Handbook (7th Edition):

Keathley, Russell Hudson. “Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease.” 2018. Web. 26 Oct 2020.

Vancouver:

Keathley RH. Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease. [Internet] [Thesis]. Icahn School of Medicine at Mount Sinai; 2018. [cited 2020 Oct 26]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10931576.

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

Council of Science Editors:

Keathley RH. Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease. [Thesis]. Icahn School of Medicine at Mount Sinai; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10931576

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


University of California – San Francisco

11. Barlow, Kyle Andrew. Increasing the complexity of computational protein modeling methodologies for functional applications in biology.

Degree: Biological and Medical Informatics, 2017, University of California – San Francisco

 While the native states of proteins usually correspond to their free energy minimum, and can often be found with experimental techniques, predicting the folded native… (more)

Subjects/Keywords: Computational chemistry; Bioinformatics

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APA (6th Edition):

Barlow, K. A. (2017). Increasing the complexity of computational protein modeling methodologies for functional applications in biology. (Thesis). University of California – San Francisco. Retrieved from http://www.escholarship.org/uc/item/649785wr

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):

Barlow, Kyle Andrew. “Increasing the complexity of computational protein modeling methodologies for functional applications in biology.” 2017. Thesis, University of California – San Francisco. Accessed October 26, 2020. http://www.escholarship.org/uc/item/649785wr.

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

MLA Handbook (7th Edition):

Barlow, Kyle Andrew. “Increasing the complexity of computational protein modeling methodologies for functional applications in biology.” 2017. Web. 26 Oct 2020.

Vancouver:

Barlow KA. Increasing the complexity of computational protein modeling methodologies for functional applications in biology. [Internet] [Thesis]. University of California – San Francisco; 2017. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/649785wr.

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

Council of Science Editors:

Barlow KA. Increasing the complexity of computational protein modeling methodologies for functional applications in biology. [Thesis]. University of California – San Francisco; 2017. Available from: http://www.escholarship.org/uc/item/649785wr

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


Dalhousie University

12. Lu, Simiao. Computational Models of Organotin-Mediated Alkylation of Diols.

Degree: MS, Department of Chemistry, 2013, Dalhousie University

 Dialkylstannylene acetals are tin-containing species employed extensively as intermediates to facilitate high-yielding and regioselective monosubstitution reactions of diols or polyols with various electrophiles, which is… (more)

Subjects/Keywords: Organotin Chemistry; Computational Chemistry

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APA (6th Edition):

Lu, S. (2013). Computational Models of Organotin-Mediated Alkylation of Diols. (Masters Thesis). Dalhousie University. Retrieved from http://hdl.handle.net/10222/36280

Chicago Manual of Style (16th Edition):

Lu, Simiao. “Computational Models of Organotin-Mediated Alkylation of Diols.” 2013. Masters Thesis, Dalhousie University. Accessed October 26, 2020. http://hdl.handle.net/10222/36280.

MLA Handbook (7th Edition):

Lu, Simiao. “Computational Models of Organotin-Mediated Alkylation of Diols.” 2013. Web. 26 Oct 2020.

Vancouver:

Lu S. Computational Models of Organotin-Mediated Alkylation of Diols. [Internet] [Masters thesis]. Dalhousie University; 2013. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10222/36280.

Council of Science Editors:

Lu S. Computational Models of Organotin-Mediated Alkylation of Diols. [Masters Thesis]. Dalhousie University; 2013. Available from: http://hdl.handle.net/10222/36280


UCLA

13. He, Cyndi Qixin. Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions.

Degree: Chemistry, 2018, UCLA

 Organocatalysis, the use of small organic molecules to accelerate organic reactions, has been of significant interest to synthetic chemists, and publications in this field have… (more)

Subjects/Keywords: Organic chemistry; Computational chemistry

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APA (6th Edition):

He, C. Q. (2018). Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/2546g48d

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):

He, Cyndi Qixin. “Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions.” 2018. Thesis, UCLA. Accessed October 26, 2020. http://www.escholarship.org/uc/item/2546g48d.

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

MLA Handbook (7th Edition):

He, Cyndi Qixin. “Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions.” 2018. Web. 26 Oct 2020.

Vancouver:

He CQ. Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions. [Internet] [Thesis]. UCLA; 2018. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/2546g48d.

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

Council of Science Editors:

He CQ. Quantum Mechanical Elucidations of the Mechanisms, Reactivities, and Selectivities of Organocatalysis and Cycloadditions. [Thesis]. UCLA; 2018. Available from: http://www.escholarship.org/uc/item/2546g48d

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


University of Manitoba

14. Cuthbert, Eric. A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization.

Degree: Chemistry, 2019, University of Manitoba

 Group IV O4 catalysts are interesting due to their high activity, isotacticity and molecular weight capabilities for propene polymerization which justifies their use on commercial/industrial… (more)

Subjects/Keywords: Chemistry; Olefin Polymerization; Computational Chemistry

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APA (6th Edition):

Cuthbert, E. (2019). A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization. (Thesis). University of Manitoba. Retrieved from http://hdl.handle.net/1993/34136

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):

Cuthbert, Eric. “A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization.” 2019. Thesis, University of Manitoba. Accessed October 26, 2020. http://hdl.handle.net/1993/34136.

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

MLA Handbook (7th Edition):

Cuthbert, Eric. “A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization.” 2019. Web. 26 Oct 2020.

Vancouver:

Cuthbert E. A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization. [Internet] [Thesis]. University of Manitoba; 2019. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1993/34136.

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

Council of Science Editors:

Cuthbert E. A high- throughput experimental/computational investigation of zirconium and hafnium o4 catalysts for propene polymerization. [Thesis]. University of Manitoba; 2019. Available from: http://hdl.handle.net/1993/34136

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


University of Oxford

15. Randisi, Ferdinando. Theory and simulation of twisted DNA duplexes.

Degree: PhD, 2019, University of Oxford

 We use basic statistical mechanics and computer simulations with coarse-grained models to investigate the response of (inhomogeneous) DNA duplexes to linear and torsional mechanical stress.… (more)

Subjects/Keywords: Computational physics; Biochemistry; Computational chemistry; Molecular biology

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APA (6th Edition):

Randisi, F. (2019). Theory and simulation of twisted DNA duplexes. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:1b8cf9be-8034-4aed-b488-35e7a3c7c97f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.780718

Chicago Manual of Style (16th Edition):

Randisi, Ferdinando. “Theory and simulation of twisted DNA duplexes.” 2019. Doctoral Dissertation, University of Oxford. Accessed October 26, 2020. http://ora.ox.ac.uk/objects/uuid:1b8cf9be-8034-4aed-b488-35e7a3c7c97f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.780718.

MLA Handbook (7th Edition):

Randisi, Ferdinando. “Theory and simulation of twisted DNA duplexes.” 2019. Web. 26 Oct 2020.

Vancouver:

Randisi F. Theory and simulation of twisted DNA duplexes. [Internet] [Doctoral dissertation]. University of Oxford; 2019. [cited 2020 Oct 26]. Available from: http://ora.ox.ac.uk/objects/uuid:1b8cf9be-8034-4aed-b488-35e7a3c7c97f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.780718.

Council of Science Editors:

Randisi F. Theory and simulation of twisted DNA duplexes. [Doctoral Dissertation]. University of Oxford; 2019. Available from: http://ora.ox.ac.uk/objects/uuid:1b8cf9be-8034-4aed-b488-35e7a3c7c97f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.780718


Dalhousie University

16. Plucinski, Michal. LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL.

Degree: MS, Department of Chemistry, 2014, Dalhousie University

 The Makishima Mackenzie model, used to predict the elastic properties of glass, is explored in terms of both accuracy and predictive properties. Its limitations are… (more)

Subjects/Keywords: Chemistry; Materials Science; Computational Chemistry; Physical Chemistry

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APA (6th Edition):

Plucinski, M. (2014). LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL. (Masters Thesis). Dalhousie University. Retrieved from http://hdl.handle.net/10222/55953

Chicago Manual of Style (16th Edition):

Plucinski, Michal. “LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL.” 2014. Masters Thesis, Dalhousie University. Accessed October 26, 2020. http://hdl.handle.net/10222/55953.

MLA Handbook (7th Edition):

Plucinski, Michal. “LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL.” 2014. Web. 26 Oct 2020.

Vancouver:

Plucinski M. LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL. [Internet] [Masters thesis]. Dalhousie University; 2014. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10222/55953.

Council of Science Editors:

Plucinski M. LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL. [Masters Thesis]. Dalhousie University; 2014. Available from: http://hdl.handle.net/10222/55953


Iowa State University

17. Hull, Emily A. The metallic thread in a patchwork thesis.

Degree: 2014, Iowa State University

 A general overview of computational chemistry is presented. Computational studies of macrocyclic rhodium and cobalt compounds were performed at various levels of theory. Computational studies… (more)

Subjects/Keywords: Chemistry; computational chemistry; macrocyclic rhodium; cobalt; Chemistry

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APA (6th Edition):

Hull, E. A. (2014). The metallic thread in a patchwork thesis. (Thesis). Iowa State University. Retrieved from https://lib.dr.iastate.edu/etd/14182

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):

Hull, Emily A. “The metallic thread in a patchwork thesis.” 2014. Thesis, Iowa State University. Accessed October 26, 2020. https://lib.dr.iastate.edu/etd/14182.

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

MLA Handbook (7th Edition):

Hull, Emily A. “The metallic thread in a patchwork thesis.” 2014. Web. 26 Oct 2020.

Vancouver:

Hull EA. The metallic thread in a patchwork thesis. [Internet] [Thesis]. Iowa State University; 2014. [cited 2020 Oct 26]. Available from: https://lib.dr.iastate.edu/etd/14182.

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

Council of Science Editors:

Hull EA. The metallic thread in a patchwork thesis. [Thesis]. Iowa State University; 2014. Available from: https://lib.dr.iastate.edu/etd/14182

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


University of Washington

18. Luo, Yongtian. Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface.

Degree: PhD, 2019, University of Washington

 The lipid-bilayer membrane is the fundamental structure of a cell plasma membrane and has been largely studied by biophysical experiments, theoretical modeling and computer simulations.… (more)

Subjects/Keywords:

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APA (6th Edition):

Luo, Y. (2019). Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/44747

Chicago Manual of Style (16th Edition):

Luo, Yongtian. “Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface.” 2019. Doctoral Dissertation, University of Washington. Accessed October 26, 2020. http://hdl.handle.net/1773/44747.

MLA Handbook (7th Edition):

Luo, Yongtian. “Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface.” 2019. Web. 26 Oct 2020.

Vancouver:

Luo Y. Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface. [Internet] [Doctoral dissertation]. University of Washington; 2019. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1773/44747.

Council of Science Editors:

Luo Y. Theoretical and Computational Studies of the Lateral Phases on a Multicomponent Lipid-Bilayer Surface. [Doctoral Dissertation]. University of Washington; 2019. Available from: http://hdl.handle.net/1773/44747


UCLA

19. Levandowski, Brian. Diels-Alder Reactivities of Cyclic Dienes and Dienophiles.

Degree: Chemistry, 2018, UCLA

 Since the discovery of the Diels-Alder reaction in 1928, chemical theorists have pursued a deeper understanding of the factors controlling reactivity and stereoselectivity for this… (more)

Subjects/Keywords: Computational chemistry; Diels-Alder

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APA (6th Edition):

Levandowski, B. (2018). Diels-Alder Reactivities of Cyclic Dienes and Dienophiles. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/22g6878g

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):

Levandowski, Brian. “Diels-Alder Reactivities of Cyclic Dienes and Dienophiles.” 2018. Thesis, UCLA. Accessed October 26, 2020. http://www.escholarship.org/uc/item/22g6878g.

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

MLA Handbook (7th Edition):

Levandowski, Brian. “Diels-Alder Reactivities of Cyclic Dienes and Dienophiles.” 2018. Web. 26 Oct 2020.

Vancouver:

Levandowski B. Diels-Alder Reactivities of Cyclic Dienes and Dienophiles. [Internet] [Thesis]. UCLA; 2018. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/22g6878g.

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

Council of Science Editors:

Levandowski B. Diels-Alder Reactivities of Cyclic Dienes and Dienophiles. [Thesis]. UCLA; 2018. Available from: http://www.escholarship.org/uc/item/22g6878g

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


Mississippi State University

20. Liang, Guangchao. Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry.

Degree: PhD, Chemistry, 2018, Mississippi State University

  As a reliable, convenient, and advantageous tool in the theoretical investigations of bioorganic, inorganic, and organometallic chemistry, density functional theory (DFT) computations have provided… (more)

Subjects/Keywords: Mechanisms; DFT; Computational Chemistry

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APA (6th Edition):

Liang, G. (2018). Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-05222018-103812/ ;

Chicago Manual of Style (16th Edition):

Liang, Guangchao. “Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry.” 2018. Doctoral Dissertation, Mississippi State University. Accessed October 26, 2020. http://sun.library.msstate.edu/ETD-db/theses/available/etd-05222018-103812/ ;.

MLA Handbook (7th Edition):

Liang, Guangchao. “Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry.” 2018. Web. 26 Oct 2020.

Vancouver:

Liang G. Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry. [Internet] [Doctoral dissertation]. Mississippi State University; 2018. [cited 2020 Oct 26]. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-05222018-103812/ ;.

Council of Science Editors:

Liang G. Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry. [Doctoral Dissertation]. Mississippi State University; 2018. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-05222018-103812/ ;


University of Alberta

21. Fitzsimmons, Amelia Caroline. Theoretical Studies of Novel Radon-Containing Molecules.

Degree: PhD, Department of Chemistry, 2014, University of Alberta

 The chemistry of radon is best understood in the context of the periodic relationship between radon and its lighter cousin xenon. I have studied several… (more)

Subjects/Keywords: MCP; computational chemistry; Radon

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APA (6th Edition):

Fitzsimmons, A. C. (2014). Theoretical Studies of Novel Radon-Containing Molecules. (Doctoral Dissertation). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/c1c18df86s

Chicago Manual of Style (16th Edition):

Fitzsimmons, Amelia Caroline. “Theoretical Studies of Novel Radon-Containing Molecules.” 2014. Doctoral Dissertation, University of Alberta. Accessed October 26, 2020. https://era.library.ualberta.ca/files/c1c18df86s.

MLA Handbook (7th Edition):

Fitzsimmons, Amelia Caroline. “Theoretical Studies of Novel Radon-Containing Molecules.” 2014. Web. 26 Oct 2020.

Vancouver:

Fitzsimmons AC. Theoretical Studies of Novel Radon-Containing Molecules. [Internet] [Doctoral dissertation]. University of Alberta; 2014. [cited 2020 Oct 26]. Available from: https://era.library.ualberta.ca/files/c1c18df86s.

Council of Science Editors:

Fitzsimmons AC. Theoretical Studies of Novel Radon-Containing Molecules. [Doctoral Dissertation]. University of Alberta; 2014. Available from: https://era.library.ualberta.ca/files/c1c18df86s


Cornell University

22. Herbol, Henry Carl. Algorithmic Advances in Reactive Chemical Systems.

Degree: PhD, Materials Science and Engineering, 2019, Cornell University

 Due to the inherent need for atomic-scale resolution, reaction mechanisms have -for the longest time- been difficult to study experimentally and computationally. Ingenuity in experimental… (more)

Subjects/Keywords: Materials Science; Computational Chemistry

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APA (6th Edition):

Herbol, H. C. (2019). Algorithmic Advances in Reactive Chemical Systems. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/67407

Chicago Manual of Style (16th Edition):

Herbol, Henry Carl. “Algorithmic Advances in Reactive Chemical Systems.” 2019. Doctoral Dissertation, Cornell University. Accessed October 26, 2020. http://hdl.handle.net/1813/67407.

MLA Handbook (7th Edition):

Herbol, Henry Carl. “Algorithmic Advances in Reactive Chemical Systems.” 2019. Web. 26 Oct 2020.

Vancouver:

Herbol HC. Algorithmic Advances in Reactive Chemical Systems. [Internet] [Doctoral dissertation]. Cornell University; 2019. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1813/67407.

Council of Science Editors:

Herbol HC. Algorithmic Advances in Reactive Chemical Systems. [Doctoral Dissertation]. Cornell University; 2019. Available from: http://hdl.handle.net/1813/67407


Texas A&M University

23. Carey, Ralph. Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets.

Degree: PhD, Chemistry, 2012, Texas A&M University

 Electron scattering cross sections have been computed for pyridine and pyrimidine using the static-exchange approximation with model potential to account for dynamic electron correlation. To… (more)

Subjects/Keywords: Photoionization; electron scattering; computational chemistry

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APA (6th Edition):

Carey, R. (2012). Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/ETD-TAMU-2012-05-11227

Chicago Manual of Style (16th Edition):

Carey, Ralph. “Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets.” 2012. Doctoral Dissertation, Texas A&M University. Accessed October 26, 2020. http://hdl.handle.net/1969.1/ETD-TAMU-2012-05-11227.

MLA Handbook (7th Edition):

Carey, Ralph. “Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets.” 2012. Web. 26 Oct 2020.

Vancouver:

Carey R. Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets. [Internet] [Doctoral dissertation]. Texas A&M University; 2012. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2012-05-11227.

Council of Science Editors:

Carey R. Electron, Photon, and Positron Scattering Dynamics of Complex Molecular Targets. [Doctoral Dissertation]. Texas A&M University; 2012. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2012-05-11227

24. Farkhondeh Borazjani, Hanieh. Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects.

Degree: 2019, University of Waterloo

 The interfacial interactions and film growth mechanisms of sulfur-containing amino acids on Si(111)-√3×√3-Ag are investigated by using x-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy… (more)

Subjects/Keywords: experimental and computational surface chemistry

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APA (6th Edition):

Farkhondeh Borazjani, H. (2019). Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/15146

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):

Farkhondeh Borazjani, Hanieh. “Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects.” 2019. Thesis, University of Waterloo. Accessed October 26, 2020. http://hdl.handle.net/10012/15146.

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

MLA Handbook (7th Edition):

Farkhondeh Borazjani, Hanieh. “Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects.” 2019. Web. 26 Oct 2020.

Vancouver:

Farkhondeh Borazjani H. Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects. [Internet] [Thesis]. University of Waterloo; 2019. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10012/15146.

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

Council of Science Editors:

Farkhondeh Borazjani H. Site-specific Chemistry of Sulfur-containing Amino Acids on Si(111)-√3×√3-Ag: Bioorganic Nanostructured Film Growth and Adsorbate-induced Metal Cluster Formation Governed by Surface Defects. [Thesis]. University of Waterloo; 2019. Available from: http://hdl.handle.net/10012/15146

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


Queens University

25. Carkner, Carolyn. Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics .

Degree: Chemistry, 2013, Queens University

 The Xerox Research Centre of Canada has noted that elastomeric cleaning blades in laser printers have a relatively short life expectancy, as they experience high… (more)

Subjects/Keywords: Computational ; Materials ; Theoretical ; Chemistry

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APA (6th Edition):

Carkner, C. (2013). Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics . (Thesis). Queens University. Retrieved from http://hdl.handle.net/1974/8454

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):

Carkner, Carolyn. “Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics .” 2013. Thesis, Queens University. Accessed October 26, 2020. http://hdl.handle.net/1974/8454.

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

MLA Handbook (7th Edition):

Carkner, Carolyn. “Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics .” 2013. Web. 26 Oct 2020.

Vancouver:

Carkner C. Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics . [Internet] [Thesis]. Queens University; 2013. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1974/8454.

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

Council of Science Editors:

Carkner C. Modeling Friction, Wear and Lubrication of Sliding Polyurethane and Polycarbonate Surfaces Representing Printer Components with Molecular Dynamics . [Thesis]. Queens University; 2013. Available from: http://hdl.handle.net/1974/8454

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


University of Otago

26. Miller, Benjamin John. Vibrational Overtone Intensities and Intramolecular Interactions .

Degree: 2011, University of Otago

 Vibrational spectroscopy has been used to measure SH-, OH-, and NH-stretching vibrations in the fundamental and overtone regions from 2000 cm−1 to ~18000 cm−1. Both… (more)

Subjects/Keywords: Vibrational Spectroscopy; Computational Chemistry

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APA (6th Edition):

Miller, B. J. (2011). Vibrational Overtone Intensities and Intramolecular Interactions . (Doctoral Dissertation). University of Otago. Retrieved from http://hdl.handle.net/10523/1771

Chicago Manual of Style (16th Edition):

Miller, Benjamin John. “Vibrational Overtone Intensities and Intramolecular Interactions .” 2011. Doctoral Dissertation, University of Otago. Accessed October 26, 2020. http://hdl.handle.net/10523/1771.

MLA Handbook (7th Edition):

Miller, Benjamin John. “Vibrational Overtone Intensities and Intramolecular Interactions .” 2011. Web. 26 Oct 2020.

Vancouver:

Miller BJ. Vibrational Overtone Intensities and Intramolecular Interactions . [Internet] [Doctoral dissertation]. University of Otago; 2011. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/10523/1771.

Council of Science Editors:

Miller BJ. Vibrational Overtone Intensities and Intramolecular Interactions . [Doctoral Dissertation]. University of Otago; 2011. Available from: http://hdl.handle.net/10523/1771


Oregon State University

27. Snyder, Kevin M. (Kevin Mitchell). Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis.

Degree: MS, Chemistry, 2016, Oregon State University

 In this report, three studies are presented that aid in the development of drug discovery and their synthesis. In each, the importance of the marriage… (more)

Subjects/Keywords: Computational Chemistry; Lactams  – Synthesis

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APA (6th Edition):

Snyder, K. M. (. M. (2016). Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis. (Masters Thesis). Oregon State University. Retrieved from http://hdl.handle.net/1957/59257

Chicago Manual of Style (16th Edition):

Snyder, Kevin M (Kevin Mitchell). “Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis.” 2016. Masters Thesis, Oregon State University. Accessed October 26, 2020. http://hdl.handle.net/1957/59257.

MLA Handbook (7th Edition):

Snyder, Kevin M (Kevin Mitchell). “Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis.” 2016. Web. 26 Oct 2020.

Vancouver:

Snyder KM(M. Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis. [Internet] [Masters thesis]. Oregon State University; 2016. [cited 2020 Oct 26]. Available from: http://hdl.handle.net/1957/59257.

Council of Science Editors:

Snyder KM(M. Towards the Perfect Marriage Between Theory and Experiments in Drug Discovery and Synthesis : Insights into Structure Determination of Complex Natural Products and Mechanistic Understandings of Lactam Synthesis. [Masters Thesis]. Oregon State University; 2016. Available from: http://hdl.handle.net/1957/59257


University of Vermont

28. Stanton, Suzanne Louise. Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R).

Degree: MS, Chemistry, 2016, University of Vermont

  Recent studies have identified the Class B g-protein coupled receptor (GPCR) pituitary adenylate cyclase activating polypeptide type 1 (PAC1R) as a key component in… (more)

Subjects/Keywords: Computational; Homology; Modeling; Chemistry

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APA (6th Edition):

Stanton, S. L. (2016). Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R). (Thesis). University of Vermont. Retrieved from https://scholarworks.uvm.edu/graddis/624

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):

Stanton, Suzanne Louise. “Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R).” 2016. Thesis, University of Vermont. Accessed October 26, 2020. https://scholarworks.uvm.edu/graddis/624.

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

MLA Handbook (7th Edition):

Stanton, Suzanne Louise. “Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R).” 2016. Web. 26 Oct 2020.

Vancouver:

Stanton SL. Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R). [Internet] [Thesis]. University of Vermont; 2016. [cited 2020 Oct 26]. Available from: https://scholarworks.uvm.edu/graddis/624.

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

Council of Science Editors:

Stanton SL. Homology Modeling and Molecular Docking of Antagonists to Class B G-Protein Coupled Receptor Pituitary Adenylate Cyclase Type 1 (PAC1R). [Thesis]. University of Vermont; 2016. Available from: https://scholarworks.uvm.edu/graddis/624

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


University of California – Riverside

29. Mohan, Rohith. Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design.

Degree: Bioengineering, 2018, University of California – Riverside

 The complement system, consisting of several plasma proteins and cell-bound receptors, is an important part of innate immunity. Complement component C3 is central to the… (more)

Subjects/Keywords: Computational chemistry; Immunology; Biochemistry

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

APA (6th Edition):

Mohan, R. (2018). Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design. (Thesis). University of California – Riverside. Retrieved from http://www.escholarship.org/uc/item/3nd7p20b

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):

Mohan, Rohith. “Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design.” 2018. Thesis, University of California – Riverside. Accessed October 26, 2020. http://www.escholarship.org/uc/item/3nd7p20b.

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

MLA Handbook (7th Edition):

Mohan, Rohith. “Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design.” 2018. Web. 26 Oct 2020.

Vancouver:

Mohan R. Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design. [Internet] [Thesis]. University of California – Riverside; 2018. [cited 2020 Oct 26]. Available from: http://www.escholarship.org/uc/item/3nd7p20b.

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

Council of Science Editors:

Mohan R. Mapping the Druggability of Complement C3 and its Derivatives, and Inhibitor Design. [Thesis]. University of California – Riverside; 2018. Available from: http://www.escholarship.org/uc/item/3nd7p20b

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


University of Oxford

30. Georgiev, Vihar Petkov. Electronic structure/function relationships in metal nanowires : components for molecular electronics.

Degree: PhD, 2011, University of Oxford

 The dramatic expansion of the electronics industry over the past 40 years has been based on the progressive reduction in size of the silicon-based semiconductor… (more)

Subjects/Keywords: 621.3; Computational chemistry : electron transport

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

APA (6th Edition):

Georgiev, V. P. (2011). Electronic structure/function relationships in metal nanowires : components for molecular electronics. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:594d870f-feef-474b-98e9-5f09505908a3 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.543479

Chicago Manual of Style (16th Edition):

Georgiev, Vihar Petkov. “Electronic structure/function relationships in metal nanowires : components for molecular electronics.” 2011. Doctoral Dissertation, University of Oxford. Accessed October 26, 2020. http://ora.ox.ac.uk/objects/uuid:594d870f-feef-474b-98e9-5f09505908a3 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.543479.

MLA Handbook (7th Edition):

Georgiev, Vihar Petkov. “Electronic structure/function relationships in metal nanowires : components for molecular electronics.” 2011. Web. 26 Oct 2020.

Vancouver:

Georgiev VP. Electronic structure/function relationships in metal nanowires : components for molecular electronics. [Internet] [Doctoral dissertation]. University of Oxford; 2011. [cited 2020 Oct 26]. Available from: http://ora.ox.ac.uk/objects/uuid:594d870f-feef-474b-98e9-5f09505908a3 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.543479.

Council of Science Editors:

Georgiev VP. Electronic structure/function relationships in metal nanowires : components for molecular electronics. [Doctoral Dissertation]. University of Oxford; 2011. Available from: http://ora.ox.ac.uk/objects/uuid:594d870f-feef-474b-98e9-5f09505908a3 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.543479

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