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You searched for subject:(Molecular simulation). Showing records 1 – 30 of 884 total matches.

[1] [2] [3] [4] [5] … [30]

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University of Alberta

1. Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.

Degree: MS, Department of Chemical and Materials Engineering, 2014, University of Alberta

 Thermo-responsive polymers have been the subject of research in academic and applied science over the past few decades. Among them, water-soluble thermo-responsive polymers draw most… (more)

Subjects/Keywords: Molecular dynamics simulation

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

APA (6th Edition):

Zhou,Yang. (2014). Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/rb68xf375

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

Chicago Manual of Style (16th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Masters Thesis, University of Alberta. Accessed April 22, 2019. https://era.library.ualberta.ca/files/rb68xf375.

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

MLA Handbook (7th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Web. 22 Apr 2019.

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

Vancouver:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Internet] [Masters thesis]. University of Alberta; 2014. [cited 2019 Apr 22]. Available from: https://era.library.ualberta.ca/files/rb68xf375.

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

Council of Science Editors:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Masters Thesis]. University of Alberta; 2014. Available from: https://era.library.ualberta.ca/files/rb68xf375

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


University of Edinburgh

2. Jones, Andrew. Quantum drude oscillators for accurate many-body intermolecular forces.

Degree: PhD, 2010, University of Edinburgh

 One of the important early applications of Quantum Mechanics was to explain the Van-der-Waal’s 1/R6 potential that is observed experimentally between two neutral species, such… (more)

Subjects/Keywords: 539.7; quantum drude molecular simulation

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APA (6th Edition):

Jones, A. (2010). Quantum drude oscillators for accurate many-body intermolecular forces. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/4878

Chicago Manual of Style (16th Edition):

Jones, Andrew. “Quantum drude oscillators for accurate many-body intermolecular forces.” 2010. Doctoral Dissertation, University of Edinburgh. Accessed April 22, 2019. http://hdl.handle.net/1842/4878.

MLA Handbook (7th Edition):

Jones, Andrew. “Quantum drude oscillators for accurate many-body intermolecular forces.” 2010. Web. 22 Apr 2019.

Vancouver:

Jones A. Quantum drude oscillators for accurate many-body intermolecular forces. [Internet] [Doctoral dissertation]. University of Edinburgh; 2010. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1842/4878.

Council of Science Editors:

Jones A. Quantum drude oscillators for accurate many-body intermolecular forces. [Doctoral Dissertation]. University of Edinburgh; 2010. Available from: http://hdl.handle.net/1842/4878

3. Singh, Gurpreet. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.

Degree: 2009, Technische Universität Dortmund

 Die Aggregation von Proteinen spielt in verschiedenen biologischen Prozessen eine Rolle und wird insbesondere mit vielen Krankheiten wie Alzheimer, Parkinson oder Type II Diabetes Mellitus… (more)

Subjects/Keywords: Molecular simulation; Peptide aggregation; 540

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APA (6th Edition):

Singh, G. (2009). Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. (Thesis). Technische Universität Dortmund. Retrieved from http://hdl.handle.net/2003/26021

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):

Singh, Gurpreet. “Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.” 2009. Thesis, Technische Universität Dortmund. Accessed April 22, 2019. http://hdl.handle.net/2003/26021.

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

MLA Handbook (7th Edition):

Singh, Gurpreet. “Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.” 2009. Web. 22 Apr 2019.

Vancouver:

Singh G. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. [Internet] [Thesis]. Technische Universität Dortmund; 2009. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/2003/26021.

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

Council of Science Editors:

Singh G. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. [Thesis]. Technische Universität Dortmund; 2009. Available from: http://hdl.handle.net/2003/26021

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


Georgia Tech

4. Do, Khanh Ngoc. Molecular simulations of the bulk-heterojunction morphology in organic solar cells.

Degree: PhD, Chemistry and Biochemistry, 2016, Georgia Tech

 In this Thesis, we aim to elucidate clear connections between the chemical functionality and molecular morphologies of a number of high-performing or benchmark π-conjugated materials… (more)

Subjects/Keywords: Molecular simulation; Organic solar cells

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APA (6th Edition):

Do, K. N. (2016). Molecular simulations of the bulk-heterojunction morphology in organic solar cells. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55626

Chicago Manual of Style (16th Edition):

Do, Khanh Ngoc. “Molecular simulations of the bulk-heterojunction morphology in organic solar cells.” 2016. Doctoral Dissertation, Georgia Tech. Accessed April 22, 2019. http://hdl.handle.net/1853/55626.

MLA Handbook (7th Edition):

Do, Khanh Ngoc. “Molecular simulations of the bulk-heterojunction morphology in organic solar cells.” 2016. Web. 22 Apr 2019.

Vancouver:

Do KN. Molecular simulations of the bulk-heterojunction morphology in organic solar cells. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1853/55626.

Council of Science Editors:

Do KN. Molecular simulations of the bulk-heterojunction morphology in organic solar cells. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/55626

5. Ge, Ting. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.

Degree: 2013, Johns Hopkins University

 Large deformation and mechanical failure of glassy polymers both in bulk and at interfaces are investigated through molecular simulations. Entanglements, the topological constraints that prevent… (more)

Subjects/Keywords: Molecular Simulation; Polymer Physics

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APA (6th Edition):

Ge, T. (2013). Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. (Thesis). Johns Hopkins University. Retrieved from http://jhir.library.jhu.edu/handle/1774.2/36947

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):

Ge, Ting. “Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.” 2013. Thesis, Johns Hopkins University. Accessed April 22, 2019. http://jhir.library.jhu.edu/handle/1774.2/36947.

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

MLA Handbook (7th Edition):

Ge, Ting. “Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.” 2013. Web. 22 Apr 2019.

Vancouver:

Ge T. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. [Internet] [Thesis]. Johns Hopkins University; 2013. [cited 2019 Apr 22]. Available from: http://jhir.library.jhu.edu/handle/1774.2/36947.

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

Council of Science Editors:

Ge T. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. [Thesis]. Johns Hopkins University; 2013. Available from: http://jhir.library.jhu.edu/handle/1774.2/36947

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


Hong Kong University of Science and Technology

6. Sun, Sheng. Molecular dynamics simulations of phospholipids in water under external electric field.

Degree: 2011, Hong Kong University of Science and Technology

 Phospholipids, the main components of cell membranes, are amphiphilic molecules and can form bilayer membrane structure spontaneously in water. Cell membrane provides an barrier against… (more)

Subjects/Keywords: Phospholipids; Molecular dynamics  – Computer simulation

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APA (6th Edition):

Sun, S. (2011). Molecular dynamics simulations of phospholipids in water under external electric field. (Thesis). Hong Kong University of Science and Technology. Retrieved from https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html

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):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed April 22, 2019. https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

MLA Handbook (7th Edition):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Web. 22 Apr 2019.

Vancouver:

Sun S. Molecular dynamics simulations of phospholipids in water under external electric field. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2019 Apr 22]. Available from: https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

Council of Science Editors:

Sun S. Molecular dynamics simulations of phospholipids in water under external electric field. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html

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


Penn State University

7. Boland, Erin Katherine. APPLICATION OF THE POLARIZATION MODEL TO.

Degree: MS, Chemical Engineering, 2010, Penn State University

 Fuel cells represent an appealing improvement for energy conversion in transportation applications, offering better fuel economy and lower emissions. In order for the wide scale… (more)

Subjects/Keywords: molecular dynamics simulation; electrochemical interface

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APA (6th Edition):

Boland, E. K. (2010). APPLICATION OF THE POLARIZATION MODEL TO. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/10825

Chicago Manual of Style (16th Edition):

Boland, Erin Katherine. “APPLICATION OF THE POLARIZATION MODEL TO.” 2010. Masters Thesis, Penn State University. Accessed April 22, 2019. https://etda.libraries.psu.edu/catalog/10825.

MLA Handbook (7th Edition):

Boland, Erin Katherine. “APPLICATION OF THE POLARIZATION MODEL TO.” 2010. Web. 22 Apr 2019.

Vancouver:

Boland EK. APPLICATION OF THE POLARIZATION MODEL TO. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2019 Apr 22]. Available from: https://etda.libraries.psu.edu/catalog/10825.

Council of Science Editors:

Boland EK. APPLICATION OF THE POLARIZATION MODEL TO. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/10825


University of Manitoba

8. Wei, Aoran. Adsorption of protein on a au surface studied by all-atom atomistic simulations.

Degree: Mechanical Engineering, 2016, University of Manitoba

 In this work, the adsorption of protein on Au surface coated by self-assembled monolayers (SAMs) of alkanethiol chains is studied by molecular dynamics simulations with… (more)

Subjects/Keywords: Molecular Dynamics simulation; Materials Science

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APA (6th Edition):

Wei, A. (2016). Adsorption of protein on a au surface studied by all-atom atomistic simulations. (Masters Thesis). University of Manitoba. Retrieved from http://hdl.handle.net/1993/31807

Chicago Manual of Style (16th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Masters Thesis, University of Manitoba. Accessed April 22, 2019. http://hdl.handle.net/1993/31807.

MLA Handbook (7th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Web. 22 Apr 2019.

Vancouver:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Internet] [Masters thesis]. University of Manitoba; 2016. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1993/31807.

Council of Science Editors:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Masters Thesis]. University of Manitoba; 2016. Available from: http://hdl.handle.net/1993/31807


University of Manitoba

9. Qingzhe, Song Jr. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.

Degree: Mechanical Engineering, 2015, University of Manitoba

 Nanocrystalline materials could exhibit high mechanical yield strength. Nevertheless, with a high volume fraction in nanocrystalline material, grain boundaries and triple junctions which store a… (more)

Subjects/Keywords: Triple Junction; Molecular Dynamic Simulation

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APA (6th Edition):

Qingzhe, S. J. (2015). Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. (Masters Thesis). University of Manitoba. Retrieved from http://hdl.handle.net/1993/30282

Chicago Manual of Style (16th Edition):

Qingzhe, Song Jr. “Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.” 2015. Masters Thesis, University of Manitoba. Accessed April 22, 2019. http://hdl.handle.net/1993/30282.

MLA Handbook (7th Edition):

Qingzhe, Song Jr. “Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.” 2015. Web. 22 Apr 2019.

Vancouver:

Qingzhe SJ. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. [Internet] [Masters thesis]. University of Manitoba; 2015. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1993/30282.

Council of Science Editors:

Qingzhe SJ. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. [Masters Thesis]. University of Manitoba; 2015. Available from: http://hdl.handle.net/1993/30282


University of South Florida

10. Fogarty, Joseph C. High Dimensional Non-Linear Optimization of Molecular Models.

Degree: 2014, University of South Florida

Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the… (more)

Subjects/Keywords: Molecular Modeling; Optimization; Simulation; Physics

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APA (6th Edition):

Fogarty, J. C. (2014). High Dimensional Non-Linear Optimization of Molecular Models. (Thesis). University of South Florida. Retrieved from https://scholarcommons.usf.edu/etd/5618

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):

Fogarty, Joseph C. “High Dimensional Non-Linear Optimization of Molecular Models.” 2014. Thesis, University of South Florida. Accessed April 22, 2019. https://scholarcommons.usf.edu/etd/5618.

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

MLA Handbook (7th Edition):

Fogarty, Joseph C. “High Dimensional Non-Linear Optimization of Molecular Models.” 2014. Web. 22 Apr 2019.

Vancouver:

Fogarty JC. High Dimensional Non-Linear Optimization of Molecular Models. [Internet] [Thesis]. University of South Florida; 2014. [cited 2019 Apr 22]. Available from: https://scholarcommons.usf.edu/etd/5618.

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

Council of Science Editors:

Fogarty JC. High Dimensional Non-Linear Optimization of Molecular Models. [Thesis]. University of South Florida; 2014. Available from: https://scholarcommons.usf.edu/etd/5618

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


University of Texas – Austin

11. Bello Rivas, Juan Manuel. Iterative milestoning.

Degree: Computational Science, Engineering, and Mathematics, 2016, University of Texas – Austin

 Computer simulation of matter using Molecular Dynamics (MD) is a staple in the field of Molecular Biophysics. MD yields results suitable for comparison with laboratory… (more)

Subjects/Keywords: Molecular simulation; Dynamical systems

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APA (6th Edition):

Bello Rivas, J. M. (2016). Iterative milestoning. (Thesis). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/45791

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):

Bello Rivas, Juan Manuel. “Iterative milestoning.” 2016. Thesis, University of Texas – Austin. Accessed April 22, 2019. http://hdl.handle.net/2152/45791.

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

MLA Handbook (7th Edition):

Bello Rivas, Juan Manuel. “Iterative milestoning.” 2016. Web. 22 Apr 2019.

Vancouver:

Bello Rivas JM. Iterative milestoning. [Internet] [Thesis]. University of Texas – Austin; 2016. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/2152/45791.

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

Council of Science Editors:

Bello Rivas JM. Iterative milestoning. [Thesis]. University of Texas – Austin; 2016. Available from: http://hdl.handle.net/2152/45791

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


University of Rochester

12. Zhang, Yingrui (1981 - ). Simulation of corrosion using molecular automation.

Degree: PhD, 2012, University of Rochester

 There exist many systems in Nature which present overall behavior of great complexity. Yet research in chemistry and physics has shown that the fundamental components… (more)

Subjects/Keywords: Corrosion; Molecular automation; Simulation

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APA (6th Edition):

Zhang, Y. (. -. ). (2012). Simulation of corrosion using molecular automation. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/21659

Chicago Manual of Style (16th Edition):

Zhang, Yingrui (1981 - ). “Simulation of corrosion using molecular automation.” 2012. Doctoral Dissertation, University of Rochester. Accessed April 22, 2019. http://hdl.handle.net/1802/21659.

MLA Handbook (7th Edition):

Zhang, Yingrui (1981 - ). “Simulation of corrosion using molecular automation.” 2012. Web. 22 Apr 2019.

Vancouver:

Zhang Y(-). Simulation of corrosion using molecular automation. [Internet] [Doctoral dissertation]. University of Rochester; 2012. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1802/21659.

Council of Science Editors:

Zhang Y(-). Simulation of corrosion using molecular automation. [Doctoral Dissertation]. University of Rochester; 2012. Available from: http://hdl.handle.net/1802/21659


Louisiana State University

13. Sepehri, Aliasghar. Innovative Monte Carlo Methods for Sampling Molecular Conformations.

Degree: PhD, Physical Chemistry, 2018, Louisiana State University

  Sampling molecular conformations is an important step in evaluating physical, mechanical, hydrodynamic, and optical properties of flexible molecules especially polymers. One powerful method for… (more)

Subjects/Keywords: Monte Carlo; Molecular Conformation; Molecular Simulation

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APA (6th Edition):

Sepehri, A. (2018). Innovative Monte Carlo Methods for Sampling Molecular Conformations. (Doctoral Dissertation). Louisiana State University. Retrieved from https://digitalcommons.lsu.edu/gradschool_dissertations/4201

Chicago Manual of Style (16th Edition):

Sepehri, Aliasghar. “Innovative Monte Carlo Methods for Sampling Molecular Conformations.” 2018. Doctoral Dissertation, Louisiana State University. Accessed April 22, 2019. https://digitalcommons.lsu.edu/gradschool_dissertations/4201.

MLA Handbook (7th Edition):

Sepehri, Aliasghar. “Innovative Monte Carlo Methods for Sampling Molecular Conformations.” 2018. Web. 22 Apr 2019.

Vancouver:

Sepehri A. Innovative Monte Carlo Methods for Sampling Molecular Conformations. [Internet] [Doctoral dissertation]. Louisiana State University; 2018. [cited 2019 Apr 22]. Available from: https://digitalcommons.lsu.edu/gradschool_dissertations/4201.

Council of Science Editors:

Sepehri A. Innovative Monte Carlo Methods for Sampling Molecular Conformations. [Doctoral Dissertation]. Louisiana State University; 2018. Available from: https://digitalcommons.lsu.edu/gradschool_dissertations/4201


University of Minnesota

14. Chen, Qile. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.

Degree: PhD, Chemical Engineering, 2018, University of Minnesota

 The wide variety of phase behavior associated with polymer mixtures and block polymers enables unprecedented opportunities in developing novel polymeric materials with desired properties. However,… (more)

Subjects/Keywords: mixing thermodynamics; molecular dynamics simulation; molecular simulation; Monte Carlo simulation; polymer physics

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APA (6th Edition):

Chen, Q. (2018). Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/198992

Chicago Manual of Style (16th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Doctoral Dissertation, University of Minnesota. Accessed April 22, 2019. http://hdl.handle.net/11299/198992.

MLA Handbook (7th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Web. 22 Apr 2019.

Vancouver:

Chen Q. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/11299/198992.

Council of Science Editors:

Chen Q. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/198992

15. Zhao, Wei. Molecular Modeling of Charged Membrane Systems.

Degree: 2006, Helsinki University of Technology

We have performed molecular modeling of membrane systems by employing the classical molecular dynamics method and force field parameterizations. In this thesis, our main interest… (more)

Subjects/Keywords: computer simulation; molecular dynamics; electrostatics; soft matter

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APA (6th Edition):

Zhao, W. (2006). Molecular Modeling of Charged Membrane Systems. (Thesis). Helsinki University of Technology. Retrieved from http://lib.tkk.fi/Diss/2006/isbn9512284669/

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):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Thesis, Helsinki University of Technology. Accessed April 22, 2019. http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

MLA Handbook (7th Edition):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Web. 22 Apr 2019.

Vancouver:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Internet] [Thesis]. Helsinki University of Technology; 2006. [cited 2019 Apr 22]. Available from: http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

Council of Science Editors:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Thesis]. Helsinki University of Technology; 2006. Available from: http://lib.tkk.fi/Diss/2006/isbn9512284669/

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


University of Wollongong

16. Zheng, Xuan. Molecular dynamics simulation of boundary lubricated contacts.

Degree: PhD, 2014, University of Wollongong

  Boundary lubrication involves asperity contact and confined lubricant support. To understand the molecular origin of the friction and lubrication in boundary lubrication, it is… (more)

Subjects/Keywords: molecular dynamics simulation; mixed lubrication; roughness

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APA (6th Edition):

Zheng, X. (2014). Molecular dynamics simulation of boundary lubricated contacts. (Doctoral Dissertation). University of Wollongong. Retrieved from ; http://ro.uow.edu.au/theses/4170

Chicago Manual of Style (16th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Doctoral Dissertation, University of Wollongong. Accessed April 22, 2019. ; http://ro.uow.edu.au/theses/4170.

MLA Handbook (7th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Web. 22 Apr 2019.

Vancouver:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Internet] [Doctoral dissertation]. University of Wollongong; 2014. [cited 2019 Apr 22]. Available from: ; http://ro.uow.edu.au/theses/4170.

Council of Science Editors:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Doctoral Dissertation]. University of Wollongong; 2014. Available from: ; http://ro.uow.edu.au/theses/4170


University of Alberta

17. Yan, Xinan. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.

Degree: MS, Department of Chemical and Materials Engineering, 2009, University of Alberta

 In this thesis, molecular dynamics simulations were performed to characterize the atomic motions governing grain boundary migration in a series of [001] twist boundaries. Particularly,… (more)

Subjects/Keywords: mechanism; grain boundary migration; molecular dynamics simulation

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APA (6th Edition):

Yan, X. (2009). Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/nc580m86b

Chicago Manual of Style (16th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Masters Thesis, University of Alberta. Accessed April 22, 2019. https://era.library.ualberta.ca/files/nc580m86b.

MLA Handbook (7th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Web. 22 Apr 2019.

Vancouver:

Yan X. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. [Internet] [Masters thesis]. University of Alberta; 2009. [cited 2019 Apr 22]. Available from: https://era.library.ualberta.ca/files/nc580m86b.

Council of Science Editors:

Yan X. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. [Masters Thesis]. University of Alberta; 2009. Available from: https://era.library.ualberta.ca/files/nc580m86b


University of Alberta

18. Zhu, Di. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.

Degree: MS, Department of Chemical and Materials Engineering, 2012, University of Alberta

 Employing the molecular dynamics simulation method, we investigated the responses of nano-scaled Cu systems, including single crystal(SC), and crystals with twin boundaries(TW) and grain boundaries(GB)… (more)

Subjects/Keywords: nanoscaled copper; Bauschinger’s effect; Molecular dynamics simulation

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APA (6th Edition):

Zhu, D. (2012). A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/nk322f51x

Chicago Manual of Style (16th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Masters Thesis, University of Alberta. Accessed April 22, 2019. https://era.library.ualberta.ca/files/nk322f51x.

MLA Handbook (7th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Web. 22 Apr 2019.

Vancouver:

Zhu D. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. [Internet] [Masters thesis]. University of Alberta; 2012. [cited 2019 Apr 22]. Available from: https://era.library.ualberta.ca/files/nk322f51x.

Council of Science Editors:

Zhu D. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. [Masters Thesis]. University of Alberta; 2012. Available from: https://era.library.ualberta.ca/files/nk322f51x


University of Alberta

19. Szewczyk, Paulina. Study of the phase behavior of triacylglycerols using molecular dynamics simulation.

Degree: MSIn Chemical Engineering, Department of Chemical and Materials Engineering, 2010, University of Alberta

 In the present work, we focused our attention on triacylglycerols. Their phase behavior strongly influences production processes of products based on fats and oils. However,… (more)

Subjects/Keywords: dynamics; triacylglycerols; phase; molecular; behavior; simulation

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APA (6th Edition):

Szewczyk, P. (2010). Study of the phase behavior of triacylglycerols using molecular dynamics simulation. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/5m60qt25g

Chicago Manual of Style (16th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Masters Thesis, University of Alberta. Accessed April 22, 2019. https://era.library.ualberta.ca/files/5m60qt25g.

MLA Handbook (7th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Web. 22 Apr 2019.

Vancouver:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Internet] [Masters thesis]. University of Alberta; 2010. [cited 2019 Apr 22]. Available from: https://era.library.ualberta.ca/files/5m60qt25g.

Council of Science Editors:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Masters Thesis]. University of Alberta; 2010. Available from: https://era.library.ualberta.ca/files/5m60qt25g


Texas A&M University

20. Zhao, Jin. Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes.

Degree: 2010, Texas A&M University

 A recently developed chemical vapor deposition (CVD) synthesis process called CoMoCAT yields single-wall carbon nanotubes (SWCNT)s of controlled diameter and chirality, making them extremely attractive… (more)

Subjects/Keywords: carbon nanotube; molecular dynamic simulation; DFT

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APA (6th Edition):

Zhao, J. (2010). Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes. (Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/ETD-TAMU-2008-12-136

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):

Zhao, Jin. “Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes.” 2010. Thesis, Texas A&M University. Accessed April 22, 2019. http://hdl.handle.net/1969.1/ETD-TAMU-2008-12-136.

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

MLA Handbook (7th Edition):

Zhao, Jin. “Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes.” 2010. Web. 22 Apr 2019.

Vancouver:

Zhao J. Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes. [Internet] [Thesis]. Texas A&M University; 2010. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2008-12-136.

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

Council of Science Editors:

Zhao J. Computational Study of Catalyzed Growth of Single Wall Carbon Nanotubes. [Thesis]. Texas A&M University; 2010. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2008-12-136

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


Cornell University

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

Degree: 2013, Cornell University

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

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

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Thesis, Cornell University. Accessed April 22, 2019. http://hdl.handle.net/1813/33894.

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

MLA Handbook (7th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Web. 22 Apr 2019.

Vancouver:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions . [Internet] [Thesis]. Cornell University; 2013. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1813/33894.

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

Council of Science Editors:

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

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


University of Edinburgh

22. Gkeka, Paraskevi. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.

Degree: 2010, University of Edinburgh

 Peptide-membrane interactions play an important role in a number of biological processes, such as antimicrobial defence mechanisms, viral translocation, membrane fusion and functions ofmembrane proteins.… (more)

Subjects/Keywords: 572; molecular dynamics; simulation; coarse-grained models

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APA (6th Edition):

Gkeka, P. (2010). Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/4652

Chicago Manual of Style (16th Edition):

Gkeka, Paraskevi. “Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.” 2010. Doctoral Dissertation, University of Edinburgh. Accessed April 22, 2019. http://hdl.handle.net/1842/4652.

MLA Handbook (7th Edition):

Gkeka, Paraskevi. “Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.” 2010. Web. 22 Apr 2019.

Vancouver:

Gkeka P. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. [Internet] [Doctoral dissertation]. University of Edinburgh; 2010. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1842/4652.

Council of Science Editors:

Gkeka P. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. [Doctoral Dissertation]. University of Edinburgh; 2010. Available from: http://hdl.handle.net/1842/4652


University of Akron

23. Nagireddy, Bharat. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.

Degree: MS, Mechanical Engineering, 2007, University of Akron

 The fraction of the drug absorbed in the human body is dependent on a number of factors, namely, BCS classification of drugs, state of gastro-intestinal… (more)

Subjects/Keywords: Sociology, Criminology and Penology; MOLECULAR DYNAMICS SIMULATION

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APA (6th Edition):

Nagireddy, B. (2007). AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. (Masters Thesis). University of Akron. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640

Chicago Manual of Style (16th Edition):

Nagireddy, Bharat. “AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.” 2007. Masters Thesis, University of Akron. Accessed April 22, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640.

MLA Handbook (7th Edition):

Nagireddy, Bharat. “AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.” 2007. Web. 22 Apr 2019.

Vancouver:

Nagireddy B. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. [Internet] [Masters thesis]. University of Akron; 2007. [cited 2019 Apr 22]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640.

Council of Science Editors:

Nagireddy B. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. [Masters Thesis]. University of Akron; 2007. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640


NSYSU

24. Hsieh, Cheng-Chang. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).

Degree: Master, Materials Science and Engineering, 2008, NSYSU

 By means of molecular simulation, we propose possible packing models for α and αⲠphases in poly(9,9-di-n-hexyl-2,7-fluorene) (PFH). Simulated multi-chain unit cell structures are compared… (more)

Subjects/Keywords: Molecular Simulation; Solid-Solid Phase Transformation; Polyfluorene

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APA (6th Edition):

Hsieh, C. (2008). Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959

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):

Hsieh, Cheng-Chang. “Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).” 2008. Thesis, NSYSU. Accessed April 22, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959.

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

MLA Handbook (7th Edition):

Hsieh, Cheng-Chang. “Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).” 2008. Web. 22 Apr 2019.

Vancouver:

Hsieh C. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). [Internet] [Thesis]. NSYSU; 2008. [cited 2019 Apr 22]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959.

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

Council of Science Editors:

Hsieh C. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). [Thesis]. NSYSU; 2008. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959

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


University of Virginia

25. Eckler, Matthew. Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation.

Degree: MS, Biomedical Engineering, 2015, University of Virginia

The precise mechanism of cell entry by influenza remains poorly understood, despite many years of research. Entry into the cytoplasm is preceded by a membrane… (more)

Subjects/Keywords: Influenza; Hemagglutinin; Molecular Dynamics; Simulation; Membrane

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APA (6th Edition):

Eckler, M. (2015). Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation. (Doctoral Dissertation). University of Virginia. Retrieved from http://libra.virginia.edu/catalog/libra-oa:9007

Chicago Manual of Style (16th Edition):

Eckler, Matthew. “Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation.” 2015. Doctoral Dissertation, University of Virginia. Accessed April 22, 2019. http://libra.virginia.edu/catalog/libra-oa:9007.

MLA Handbook (7th Edition):

Eckler, Matthew. “Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation.” 2015. Web. 22 Apr 2019.

Vancouver:

Eckler M. Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation. [Internet] [Doctoral dissertation]. University of Virginia; 2015. [cited 2019 Apr 22]. Available from: http://libra.virginia.edu/catalog/libra-oa:9007.

Council of Science Editors:

Eckler M. Predicting Functional Interactions in the Influenza Hemagglutinin Transmembrane Doman via Simulation. [Doctoral Dissertation]. University of Virginia; 2015. Available from: http://libra.virginia.edu/catalog/libra-oa:9007


Louisiana State University

26. Lao, Jijun. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.

Degree: PhD, Mechanical Engineering, 2010, Louisiana State University

 Using molecular dynamics (MD) simulations we investigate the surface-stress-induced structural transformations and pseudoelastic behavior in palladium (Pd) crystalline nanowires. For a <100> initial crystal orientation… (more)

Subjects/Keywords: Molecular dynamics simulation; surface stess; nanostructures

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APA (6th Edition):

Lao, J. (2010). Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037

Chicago Manual of Style (16th Edition):

Lao, Jijun. “Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.” 2010. Doctoral Dissertation, Louisiana State University. Accessed April 22, 2019. etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037.

MLA Handbook (7th Edition):

Lao, Jijun. “Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.” 2010. Web. 22 Apr 2019.

Vancouver:

Lao J. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. [Internet] [Doctoral dissertation]. Louisiana State University; 2010. [cited 2019 Apr 22]. Available from: etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037.

Council of Science Editors:

Lao J. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. [Doctoral Dissertation]. Louisiana State University; 2010. Available from: etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037


Massey University

27. Wirz, Lukas N. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.

Degree: PhD, 2015, Massey University

 In this thesis two different models, that is levels of abstraction, are used to explore specific classes of molecular structures and their properties. In part… (more)

Subjects/Keywords: Fullerenes; Molecular dynamics; Molecules; Models; Computer simulation

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APA (6th Edition):

Wirz, L. N. (2015). Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. (Doctoral Dissertation). Massey University. Retrieved from http://hdl.handle.net/10179/8276

Chicago Manual of Style (16th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Doctoral Dissertation, Massey University. Accessed April 22, 2019. http://hdl.handle.net/10179/8276.

MLA Handbook (7th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Web. 22 Apr 2019.

Vancouver:

Wirz LN. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. [Internet] [Doctoral dissertation]. Massey University; 2015. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/10179/8276.

Council of Science Editors:

Wirz LN. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. [Doctoral Dissertation]. Massey University; 2015. Available from: http://hdl.handle.net/10179/8276


Clemson University

28. Wang, Bo. Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications.

Degree: PhD, Physics and Astronomy, 2017, Clemson University

 We are living an era wherein nanoparticles (NPs) have been widely applied in our lives. Dendrimers are special polymeric NPs with unique physiochemical properties, which… (more)

Subjects/Keywords: biomedicine; biophysics; molecular simulation; nanoparticle; protein aggregation

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APA (6th Edition):

Wang, B. (2017). Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/1967

Chicago Manual of Style (16th Edition):

Wang, Bo. “Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications.” 2017. Doctoral Dissertation, Clemson University. Accessed April 22, 2019. https://tigerprints.clemson.edu/all_dissertations/1967.

MLA Handbook (7th Edition):

Wang, Bo. “Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications.” 2017. Web. 22 Apr 2019.

Vancouver:

Wang B. Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications. [Internet] [Doctoral dissertation]. Clemson University; 2017. [cited 2019 Apr 22]. Available from: https://tigerprints.clemson.edu/all_dissertations/1967.

Council of Science Editors:

Wang B. Understanding the Structure-Function Relationships of Dendrimers in Environmental and Biomedical Applications. [Doctoral Dissertation]. Clemson University; 2017. Available from: https://tigerprints.clemson.edu/all_dissertations/1967


Vanderbilt University

29. Lewis, James Benjamin. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.

Degree: PhD, Chemical Engineering, 2012, Vanderbilt University

 Due to small surface area to volume ratios, nanoscale devices can exhibit dominant surface forces that can quickly degrade un-lubricated contacting surfaces. While fluorinated materials… (more)

Subjects/Keywords: simulation; fluorocarbon; hydrocarbon; monolayer; friction; molecular dynamics

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APA (6th Edition):

Lewis, J. B. (2012). Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;

Chicago Manual of Style (16th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Doctoral Dissertation, Vanderbilt University. Accessed April 22, 2019. http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;.

MLA Handbook (7th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Web. 22 Apr 2019.

Vancouver:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2019 Apr 22]. Available from: http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;.

Council of Science Editors:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Doctoral Dissertation]. Vanderbilt University; 2012. Available from: http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;


Texas A&M University

30. Jin, Bikai. Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation.

Degree: PhD, Petroleum Engineering, 2018, Texas A&M University

 Production from shale reservoirs is getting more attention from the oil industry. However, the shale is not understood as well as conventional reservoirs. One complexity… (more)

Subjects/Keywords: Phase behavior; Shale system; Nanopore; Molecular simulation

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APA (6th Edition):

Jin, B. (2018). Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/173490

Chicago Manual of Style (16th Edition):

Jin, Bikai. “Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation.” 2018. Doctoral Dissertation, Texas A&M University. Accessed April 22, 2019. http://hdl.handle.net/1969.1/173490.

MLA Handbook (7th Edition):

Jin, Bikai. “Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation.” 2018. Web. 22 Apr 2019.

Vancouver:

Jin B. Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation. [Internet] [Doctoral dissertation]. Texas A&M University; 2018. [cited 2019 Apr 22]. Available from: http://hdl.handle.net/1969.1/173490.

Council of Science Editors:

Jin B. Phase Behavior of Hydrocarbon Fluids in Shale Systems from Molecular Simulation. [Doctoral Dissertation]. Texas A&M University; 2018. Available from: http://hdl.handle.net/1969.1/173490

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