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You searched for subject:(Car Parrinello Molecular Dynamics). Showing records 1 – 30 of 50189 total matches.

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Université Paris-Sud – Paris XI

1. Lectez, Sébastien. Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods.

Degree: Docteur es, Chimie, 2012, Université Paris-Sud – Paris XI

Ce travail qui a été effectué au sein du groupe radiochimie de l'IPN Orsay, participe à l'enrichissement des connaissances destinées à la compréhension du comportement… (more)

Subjects/Keywords: Uranyle; Gibbsite; Adsorption; Car-Parrinello; Dynamique moléculaire; Uranyl; Gibbsite; Adsorption; Car-Parrinello; Molecular dynamics

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APA (6th Edition):

Lectez, S. (2012). Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods. (Doctoral Dissertation). Université Paris-Sud – Paris XI. Retrieved from http://www.theses.fr/2012PA112120

Chicago Manual of Style (16th Edition):

Lectez, Sébastien. “Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods.” 2012. Doctoral Dissertation, Université Paris-Sud – Paris XI. Accessed July 09, 2020. http://www.theses.fr/2012PA112120.

MLA Handbook (7th Edition):

Lectez, Sébastien. “Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods.” 2012. Web. 09 Jul 2020.

Vancouver:

Lectez S. Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods. [Internet] [Doctoral dissertation]. Université Paris-Sud – Paris XI; 2012. [cited 2020 Jul 09]. Available from: http://www.theses.fr/2012PA112120.

Council of Science Editors:

Lectez S. Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique : Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods. [Doctoral Dissertation]. Université Paris-Sud – Paris XI; 2012. Available from: http://www.theses.fr/2012PA112120


Dalhousie University

2. Martin, Erin. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.

Degree: MS, Department of Chemistry, 2011, Dalhousie University

 Water is known to take on highly organized structures to influence the reactivity of chemical and biological systems; despite this, water is often only implicitly… (more)

Subjects/Keywords: Molecular dynamics; Car-Parrinello Molecular Dynamics; Myelin sheath; Gamma-aminobutyric acid; Acetylcholine; Water

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APA (6th Edition):

Martin, E. (2011). The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. (Masters Thesis). Dalhousie University. Retrieved from http://hdl.handle.net/10222/14091

Chicago Manual of Style (16th Edition):

Martin, Erin. “The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.” 2011. Masters Thesis, Dalhousie University. Accessed July 09, 2020. http://hdl.handle.net/10222/14091.

MLA Handbook (7th Edition):

Martin, Erin. “The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.” 2011. Web. 09 Jul 2020.

Vancouver:

Martin E. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. [Internet] [Masters thesis]. Dalhousie University; 2011. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/10222/14091.

Council of Science Editors:

Martin E. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. [Masters Thesis]. Dalhousie University; 2011. Available from: http://hdl.handle.net/10222/14091


University of Oulu

3. Saukkoriipi, J. (Jaakko). Theoretical study of the hydrolysis of aluminum complexes.

Degree: 2010, University of Oulu

 Abstract This thesis focuses on the molecular-level chemistry of the solvation of aluminum salts. Fundamental aspects such as, structural characteristics of the aluminum molecules, hydrolysis,… (more)

Subjects/Keywords: Car–Parrinello molecular dynamics; aluminum complexes; density functional theory; hydrolysis; van der Waals–correction

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APA (6th Edition):

Saukkoriipi, J. (. (2010). Theoretical study of the hydrolysis of aluminum complexes. (Doctoral Dissertation). University of Oulu. Retrieved from http://urn.fi/urn:isbn:9789514261831

Chicago Manual of Style (16th Edition):

Saukkoriipi, J (Jaakko). “Theoretical study of the hydrolysis of aluminum complexes.” 2010. Doctoral Dissertation, University of Oulu. Accessed July 09, 2020. http://urn.fi/urn:isbn:9789514261831.

MLA Handbook (7th Edition):

Saukkoriipi, J (Jaakko). “Theoretical study of the hydrolysis of aluminum complexes.” 2010. Web. 09 Jul 2020.

Vancouver:

Saukkoriipi J(. Theoretical study of the hydrolysis of aluminum complexes. [Internet] [Doctoral dissertation]. University of Oulu; 2010. [cited 2020 Jul 09]. Available from: http://urn.fi/urn:isbn:9789514261831.

Council of Science Editors:

Saukkoriipi J(. Theoretical study of the hydrolysis of aluminum complexes. [Doctoral Dissertation]. University of Oulu; 2010. Available from: http://urn.fi/urn:isbn:9789514261831

4. Bouëssel du Bourg, Lila. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.

Degree: Docteur es, Chimie, 2017, Rennes 1

Ce travail de thèse est consacré à la rationalisation de verres de tellure, au fort potentiel applicatif. Les résultats ont été obtenus en utilisant la… (more)

Subjects/Keywords: Verres de chalcogénure; Tellure; Dynamique moléculaire ab initio; Car-Parrinello; Résonance Magnétique Nucléaire; GIPAW; Chalcogenide glasses; Tellurium; Ab initio molecular dynamics; Car-Parrinello; Nuclear Magnetic Resonance; GIPAW

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APA (6th Edition):

Bouëssel du Bourg, L. (2017). Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. (Doctoral Dissertation). Rennes 1. Retrieved from http://www.theses.fr/2017REN1S100

Chicago Manual of Style (16th Edition):

Bouëssel du Bourg, Lila. “Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.” 2017. Doctoral Dissertation, Rennes 1. Accessed July 09, 2020. http://www.theses.fr/2017REN1S100.

MLA Handbook (7th Edition):

Bouëssel du Bourg, Lila. “Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.” 2017. Web. 09 Jul 2020.

Vancouver:

Bouëssel du Bourg L. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. [Internet] [Doctoral dissertation]. Rennes 1; 2017. [cited 2020 Jul 09]. Available from: http://www.theses.fr/2017REN1S100.

Council of Science Editors:

Bouëssel du Bourg L. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. [Doctoral Dissertation]. Rennes 1; 2017. Available from: http://www.theses.fr/2017REN1S100

5. Collis, Antonia Bryony Kay. Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide.

Degree: PhD, 2011, University of Edinburgh

 Biomolecular systems, in particular those involving proteins and their constituents, have been the focus of much research in the last century. The relationship between experiment,… (more)

Subjects/Keywords: 572.6; molecular dynamics; amino acids; GPE; glutamate; Car-Parrinello

Dynamics . . . . . . . . . . . . . . . . 22 2.2.3 Car-Parrinello Molecular Dynamics… …Basic principles of Molecular Dynamics . . . . . . . . . . . 17 2.2.2 Classical Molecular… …classical glutamate simulation structure Car Parrinello simulations of aqueous glutamate solutions… …bond dynamics . . . . . . . . . . . . . . . . . . 48 viii CONTENTS 3 The 3.1 3.2 3.3 3.4… …standard MD simulation: application to aqueous glutamate 113 4.1 Dynamics of aqueous glutamate… 

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APA (6th Edition):

Collis, A. B. K. (2011). Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/5757

Chicago Manual of Style (16th Edition):

Collis, Antonia Bryony Kay. “Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide.” 2011. Doctoral Dissertation, University of Edinburgh. Accessed July 09, 2020. http://hdl.handle.net/1842/5757.

MLA Handbook (7th Edition):

Collis, Antonia Bryony Kay. “Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide.” 2011. Web. 09 Jul 2020.

Vancouver:

Collis ABK. Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide. [Internet] [Doctoral dissertation]. University of Edinburgh; 2011. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1842/5757.

Council of Science Editors:

Collis ABK. Molecular dynamics simulations of aqueous glutamate and the gly-pro-glu (GPE) tripeptide. [Doctoral Dissertation]. University of Edinburgh; 2011. Available from: http://hdl.handle.net/1842/5757

6. Rojas-Cervellera, Víctor. Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules.

Degree: Departament de Física Aplicada, 2015, Universitat Politècnica de Catalunya

 Los clústeres de oro protegidos por tiolatos (AuMPCs) se utilizan en varias aplicaciones biológicas y biomédicas debido a sus propiedades físicas y químicas. El hecho… (more)

Subjects/Keywords: Thiolate monolayer-protected gold clusters; Staple motif; Glycosyltransferases; Carbohydrates; Ab initio molecular dynamics; Density functional theory; Car-Parrinello molecular dynamics; Metadynamics; HOMO-LUMO gap; 544; 577

…BOMD Born-Oppenheimer molecular dynamics CP Car-Parrinello method CPMD Car-Parrinello… …monolayer-protected gold nanoparticle a.u. atomic units AIMD ab initio molecular dynamics… …molecular dynamics CV collective variable DFT density functional theory D-RESP dynamically… …Kelvin MD molecular dynamics MM molecular mechanics MTD metadynamics nm nanometer x… …21 Computational Methods 22 Chapter II Computational Methods Molecular dynamics… 

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APA (6th Edition):

Rojas-Cervellera, V. (2015). Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules. (Thesis). Universitat Politècnica de Catalunya. Retrieved from http://hdl.handle.net/10803/317382

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):

Rojas-Cervellera, Víctor. “Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules.” 2015. Thesis, Universitat Politècnica de Catalunya. Accessed July 09, 2020. http://hdl.handle.net/10803/317382.

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

MLA Handbook (7th Edition):

Rojas-Cervellera, Víctor. “Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules.” 2015. Web. 09 Jul 2020.

Vancouver:

Rojas-Cervellera V. Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules. [Internet] [Thesis]. Universitat Politècnica de Catalunya; 2015. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/10803/317382.

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

Council of Science Editors:

Rojas-Cervellera V. Ab initio molecular dynamics study of thiolate-protected gold clusters and their interaction with biomolecules. [Thesis]. Universitat Politècnica de Catalunya; 2015. Available from: http://hdl.handle.net/10803/317382

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

7. Hug, Susanna. Molecular Dynamics Simulations of Peptide-Mineral Interactions.

Degree: 2012, University of Western Ontario

 We present molecular dynamics (MD) simulations providing information about the mechanisms of biomineralization. We focus on osteopontin-related peptides, which inhibit the growth of calcium oxalate… (more)

Subjects/Keywords: Car-Parrinello molecular dynamics; ab initio; classical molecular dynam- ics; osteopontin; calcium oxalate monohydrate; poly-electrolyte; acidic peptides; aspartic acid; phosphoserine; Biochemistry; Biophysics; Other Applied Mathematics

Parrinello molecular dynamics dissipative particle dynamics density functional theory finitely… …potential molecular dynamics ensemble with constant number of particles, pressure and temperature… …Chapter 3: Background on Ab Initio Molecular Dynamics A ai bi ciν δi j E El E KS E xc −e FI fi f… …k = k1 b1 + k2 b2 + k3 b3 ) Lagrangian Car-Parrinello Lagrangian mass of nucleus I… …Classical Molecular Dynamics B Di j di j Fi f (x, t) matrix containing directions of… 

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APA (6th Edition):

Hug, S. (2012). Molecular Dynamics Simulations of Peptide-Mineral Interactions. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/407

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):

Hug, Susanna. “Molecular Dynamics Simulations of Peptide-Mineral Interactions.” 2012. Thesis, University of Western Ontario. Accessed July 09, 2020. https://ir.lib.uwo.ca/etd/407.

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

MLA Handbook (7th Edition):

Hug, Susanna. “Molecular Dynamics Simulations of Peptide-Mineral Interactions.” 2012. Web. 09 Jul 2020.

Vancouver:

Hug S. Molecular Dynamics Simulations of Peptide-Mineral Interactions. [Internet] [Thesis]. University of Western Ontario; 2012. [cited 2020 Jul 09]. Available from: https://ir.lib.uwo.ca/etd/407.

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

Council of Science Editors:

Hug S. Molecular Dynamics Simulations of Peptide-Mineral Interactions. [Thesis]. University of Western Ontario; 2012. Available from: https://ir.lib.uwo.ca/etd/407

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

8. Louwerse, M.J. Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction.

Degree: Faculty of Earth and Life Sciences, 2008, NARCIS

Subjects/Keywords: Car-Parrinello; Fenton reaction; ironoxo

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APA (6th Edition):

Louwerse, M. J. (2008). Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction. (Doctoral Dissertation). NARCIS. Retrieved from https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849 ; urn:nbn:nl:ui:31-1871/12702 ; 64deefc2-96d2-4fa4-9111-446b26db0849 ; 1871/12702 ; urn:isbn:9789086592098 ; urn:nbn:nl:ui:31-1871/12702 ; https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849

Chicago Manual of Style (16th Edition):

Louwerse, M J. “Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction.” 2008. Doctoral Dissertation, NARCIS. Accessed July 09, 2020. https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849 ; urn:nbn:nl:ui:31-1871/12702 ; 64deefc2-96d2-4fa4-9111-446b26db0849 ; 1871/12702 ; urn:isbn:9789086592098 ; urn:nbn:nl:ui:31-1871/12702 ; https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849.

MLA Handbook (7th Edition):

Louwerse, M J. “Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction.” 2008. Web. 09 Jul 2020.

Vancouver:

Louwerse MJ. Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction. [Internet] [Doctoral dissertation]. NARCIS; 2008. [cited 2020 Jul 09]. Available from: https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849 ; urn:nbn:nl:ui:31-1871/12702 ; 64deefc2-96d2-4fa4-9111-446b26db0849 ; 1871/12702 ; urn:isbn:9789086592098 ; urn:nbn:nl:ui:31-1871/12702 ; https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849.

Council of Science Editors:

Louwerse MJ. Computational Modeling of Oxidation Catalysis: Studies concerning Fenton's reaction. [Doctoral Dissertation]. NARCIS; 2008. Available from: https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849 ; urn:nbn:nl:ui:31-1871/12702 ; 64deefc2-96d2-4fa4-9111-446b26db0849 ; 1871/12702 ; urn:isbn:9789086592098 ; urn:nbn:nl:ui:31-1871/12702 ; https://research.vu.nl/en/publications/64deefc2-96d2-4fa4-9111-446b26db0849


Vrije Universiteit Amsterdam

9. Louwerse, M.J. Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction .

Degree: 2008, Vrije Universiteit Amsterdam

Subjects/Keywords: Computational studies of oxidation catalysis; Fenton reaction; ironoxo; Car-Parrinello

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APA (6th Edition):

Louwerse, M. J. (2008). Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction . (Doctoral Dissertation). Vrije Universiteit Amsterdam. Retrieved from http://hdl.handle.net/1871/12702

Chicago Manual of Style (16th Edition):

Louwerse, M J. “Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction .” 2008. Doctoral Dissertation, Vrije Universiteit Amsterdam. Accessed July 09, 2020. http://hdl.handle.net/1871/12702.

MLA Handbook (7th Edition):

Louwerse, M J. “Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction .” 2008. Web. 09 Jul 2020.

Vancouver:

Louwerse MJ. Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction . [Internet] [Doctoral dissertation]. Vrije Universiteit Amsterdam; 2008. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1871/12702.

Council of Science Editors:

Louwerse MJ. Computational Modeling of Oxidation Catalysis : Studies concerning Fenton's reaction . [Doctoral Dissertation]. Vrije Universiteit Amsterdam; 2008. Available from: http://hdl.handle.net/1871/12702


Anna University

10. Priyadarshini M. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.

Degree: Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study, 2015, Anna University

The crystal structures of LolA and LolB have been solved and extensive studies have been performed on these biomolecules Takeda et al 2003 Despite the… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

M, P. (2015). Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. (Thesis). Anna University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/34560

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):

M, Priyadarshini. “Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.” 2015. Thesis, Anna University. Accessed July 09, 2020. http://shodhganga.inflibnet.ac.in/handle/10603/34560.

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

MLA Handbook (7th Edition):

M, Priyadarshini. “Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.” 2015. Web. 09 Jul 2020.

Vancouver:

M P. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. [Internet] [Thesis]. Anna University; 2015. [cited 2020 Jul 09]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/34560.

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

Council of Science Editors:

M P. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. [Thesis]. Anna University; 2015. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/34560

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


University of Oklahoma

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

Degree: PhD, 2012, University of Oklahoma

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

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed July 09, 2020. http://hdl.handle.net/11244/319485.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 09 Jul 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/11244/319485.

Council of Science Editors:

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


University of Oklahoma

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

Degree: PhD, 2012, University of Oklahoma

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

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed July 09, 2020. http://hdl.handle.net/11244/318535.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 09 Jul 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/11244/318535.

Council of Science Editors:

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


Indian Institute of Science

13. Tummanapelli, Anil Kumar. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.

Degree: 2015, Indian Institute of Science

 Knowledge of the dissociation constants of the ionizable protons of weak acids in aqueous media is of fundamental importance in many areas of chemistry and… (more)

Subjects/Keywords: Aqueous Solutions; Bronsted Acid-base Chemistry; Molecular Dynamics; Ab Initio car Molecular Dynamics; Acid Dissociation Constant; Thermodynamic Cycles; Density Functional Theory (DFT); Metadynamics; Ab Initio MD Simulations; Glutathione Disulfide; Inorganic and Physical Chemistry

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APA (6th Edition):

Tummanapelli, A. K. (2015). Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. (Thesis). Indian Institute of Science. Retrieved from http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf

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):

Tummanapelli, Anil Kumar. “Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.” 2015. Thesis, Indian Institute of Science. Accessed July 09, 2020. http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf.

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

MLA Handbook (7th Edition):

Tummanapelli, Anil Kumar. “Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.” 2015. Web. 09 Jul 2020.

Vancouver:

Tummanapelli AK. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. [Internet] [Thesis]. Indian Institute of Science; 2015. [cited 2020 Jul 09]. Available from: http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf.

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

Council of Science Editors:

Tummanapelli AK. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. [Thesis]. Indian Institute of Science; 2015. Available from: http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf

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

14. Liu, Chong. Molecular dynamics simulation of nanochannel flows.

Degree: 2011, Hong Kong University of Science and Technology

 Nanoscale fluid flow systems involve both microscopic and macroscopic parameters, which may couple with each another and lead to many special properties. The primary objective… (more)

Subjects/Keywords: Nanofluids ; Molecular dynamics ; Fluid dynamics

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APA (6th Edition):

Liu, C. (2011). Molecular dynamics simulation of nanochannel flows. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/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):

Liu, Chong. “Molecular dynamics simulation of nanochannel flows.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed July 09, 2020. http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/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):

Liu, Chong. “Molecular dynamics simulation of nanochannel flows.” 2011. Web. 09 Jul 2020.

Vancouver:

Liu C. Molecular dynamics simulation of nanochannel flows. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2020 Jul 09]. Available from: http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/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:

Liu C. Molecular dynamics simulation of nanochannel flows. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/th_redirect.html

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


University of Windsor

15. Sun, Mingyu. Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics.

Degree: MA, Mechanical, Automotive, and Materials Engineering, 2019, University of Windsor

 In vehicle motion analysis, it is often of interest to predict the aerodynamic load and moment acting on the vehicle body, typically with the intention… (more)

Subjects/Keywords: Aerodynamic effects; Half car model; Multibody dynamics; Ride quality; Vehicle dynamics

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APA (6th Edition):

Sun, M. (2019). Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics. (Masters Thesis). University of Windsor. Retrieved from https://scholar.uwindsor.ca/etd/7847

Chicago Manual of Style (16th Edition):

Sun, Mingyu. “Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics.” 2019. Masters Thesis, University of Windsor. Accessed July 09, 2020. https://scholar.uwindsor.ca/etd/7847.

MLA Handbook (7th Edition):

Sun, Mingyu. “Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics.” 2019. Web. 09 Jul 2020.

Vancouver:

Sun M. Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics. [Internet] [Masters thesis]. University of Windsor; 2019. [cited 2020 Jul 09]. Available from: https://scholar.uwindsor.ca/etd/7847.

Council of Science Editors:

Sun M. Inclusion of Aerodynamic Effects in Multibody Vehicle Dynamics. [Masters Thesis]. University of Windsor; 2019. Available from: https://scholar.uwindsor.ca/etd/7847


University of Alberta

16. 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 (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 July 09, 2020. 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. 09 Jul 2020.

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 2020 Jul 09]. 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


Texas A&M University

17. Atilhan, Selma. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.

Degree: 2009, Texas A&M University

 Nanocomposites refer to the materials in which the defining characteristic size of inclusions is in the order of 10-100nm. There are several types of nanoparticle… (more)

Subjects/Keywords: Molecular dynamics; Montmorillonite

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APA (6th Edition):

Atilhan, S. (2009). Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. (Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/ETD-TAMU-1263

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):

Atilhan, Selma. “Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.” 2009. Thesis, Texas A&M University. Accessed July 09, 2020. http://hdl.handle.net/1969.1/ETD-TAMU-1263.

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

MLA Handbook (7th Edition):

Atilhan, Selma. “Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.” 2009. Web. 09 Jul 2020.

Vancouver:

Atilhan S. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. [Internet] [Thesis]. Texas A&M University; 2009. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-1263.

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

Council of Science Editors:

Atilhan S. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. [Thesis]. Texas A&M University; 2009. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-1263

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

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

Degree: PhD, Chemistry, 2011, Brown University

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

Subjects/Keywords: Ultrafast Molecular Dynamics

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Doctoral Dissertation, Brown University. Accessed July 09, 2020. https://repository.library.brown.edu/studio/item/bdr:11189/.

MLA Handbook (7th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Web. 09 Jul 2020.

Vancouver:

Bao J. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. [Internet] [Doctoral dissertation]. Brown University; 2011. [cited 2020 Jul 09]. Available from: https://repository.library.brown.edu/studio/item/bdr:11189/.

Council of Science Editors:

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


University of Manchester

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

Degree: 2016, University of Manchester

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

Subjects/Keywords: molecular dynamics; multiscale

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Doctoral Dissertation, University of Manchester. Accessed July 09, 2020. http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532.

MLA Handbook (7th Edition):

Gowers, Richard. “Developing dual-scale models for structured liquids and polymeric materials.” 2016. Web. 09 Jul 2020.

Vancouver:

Gowers R. Developing dual-scale models for structured liquids and polymeric materials. [Internet] [Doctoral dissertation]. University of Manchester; 2016. [cited 2020 Jul 09]. Available from: http://www.manchester.ac.uk/escholar/uk-ac-man-scw:301532.

Council of Science Editors:

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


McMaster University

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

Degree: PhD, 2015, McMaster University

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

Subjects/Keywords: Molecular Dynamics; Solidification

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Saidi, Peyman. “Simulation Based Study of Solidification in Aluminum-Silicon System.” 2015. Doctoral Dissertation, McMaster University. Accessed July 09, 2020. http://hdl.handle.net/11375/18358.

MLA Handbook (7th Edition):

Saidi, Peyman. “Simulation Based Study of Solidification in Aluminum-Silicon System.” 2015. Web. 09 Jul 2020.

Vancouver:

Saidi P. Simulation Based Study of Solidification in Aluminum-Silicon System. [Internet] [Doctoral dissertation]. McMaster University; 2015. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/11375/18358.

Council of Science Editors:

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


University of Oklahoma

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

Degree: PhD, 2014, University of Oklahoma

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

Subjects/Keywords: graphene; molecular dynamics

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Konatham, Deepthi. “Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations.” 2014. Doctoral Dissertation, University of Oklahoma. Accessed July 09, 2020. http://hdl.handle.net/11244/13876.

MLA Handbook (7th Edition):

Konatham, Deepthi. “Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations.” 2014. Web. 09 Jul 2020.

Vancouver:

Konatham D. Equilibrium and Transport Properties of Systems Containing Graphene Sheets (-Oil Nanocomposites and Membranes) from Molecular Dynamics Simulations. [Internet] [Doctoral dissertation]. University of Oklahoma; 2014. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/11244/13876.

Council of Science Editors:

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


Cornell University

22. Pochodylo, Amy. Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study .

Degree: 2014, Cornell University

 A better understanding of the metal-peptide complexes formed by phytochelatins and microcystins is necessary to understand the role of these peptides in algal cells and… (more)

Subjects/Keywords: microcystins; molecular dynamics

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APA (6th Edition):

Pochodylo, A. (2014). Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/37018

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):

Pochodylo, Amy. “Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study .” 2014. Thesis, Cornell University. Accessed July 09, 2020. http://hdl.handle.net/1813/37018.

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

MLA Handbook (7th Edition):

Pochodylo, Amy. “Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study .” 2014. Web. 09 Jul 2020.

Vancouver:

Pochodylo A. Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study . [Internet] [Thesis]. Cornell University; 2014. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1813/37018.

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

Council of Science Editors:

Pochodylo A. Metal Complexation By Phytochelatins And Microcystins: A Molecular Dynamics Study . [Thesis]. Cornell University; 2014. Available from: http://hdl.handle.net/1813/37018

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


Rutgers University

23. Li, Ting, 1989-. Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics.

Degree: MS, Chemical and Biochemical Engineering, 2016, Rutgers University

 This work studies the interaction of lipid bilayer with hydrophilic silica surface. Main attention is paid to the dependence of the disjoining pressure Π on… (more)

Subjects/Keywords: Molecular dynamics; Silica

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APA (6th Edition):

Li, Ting, 1. (2016). Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/49254/

Chicago Manual of Style (16th Edition):

Li, Ting, 1989-. “Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics.” 2016. Masters Thesis, Rutgers University. Accessed July 09, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/49254/.

MLA Handbook (7th Edition):

Li, Ting, 1989-. “Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics.” 2016. Web. 09 Jul 2020.

Vancouver:

Li, Ting 1. Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics. [Internet] [Masters thesis]. Rutgers University; 2016. [cited 2020 Jul 09]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49254/.

Council of Science Editors:

Li, Ting 1. Study the interaction between hydrophilic silica surface and planar DMPC bilayers by using molecular dynamics. [Masters Thesis]. Rutgers University; 2016. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49254/


Rutgers University

24. Whittaker, John W., 1992-. Molecular dynamics simulations of biopolymers in materials science and medicine.

Degree: MS, Computational and Integrative Biology, 2018, Rutgers University

 Biopolymers are the molecular building blocks of the natural world and are a focal point of many areas of active research. Despite their universality, many… (more)

Subjects/Keywords: Biopolymers; Molecular dynamics

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APA (6th Edition):

Whittaker, John W., 1. (2018). Molecular dynamics simulations of biopolymers in materials science and medicine. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/57089/

Chicago Manual of Style (16th Edition):

Whittaker, John W., 1992-. “Molecular dynamics simulations of biopolymers in materials science and medicine.” 2018. Masters Thesis, Rutgers University. Accessed July 09, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/57089/.

MLA Handbook (7th Edition):

Whittaker, John W., 1992-. “Molecular dynamics simulations of biopolymers in materials science and medicine.” 2018. Web. 09 Jul 2020.

Vancouver:

Whittaker, John W. 1. Molecular dynamics simulations of biopolymers in materials science and medicine. [Internet] [Masters thesis]. Rutgers University; 2018. [cited 2020 Jul 09]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57089/.

Council of Science Editors:

Whittaker, John W. 1. Molecular dynamics simulations of biopolymers in materials science and medicine. [Masters Thesis]. Rutgers University; 2018. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57089/

25. Raviprasad, Muniyamuthu. Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study.

Degree: 2012, North Dakota State University

 In most barrier applications, both mechanical and diffusion properties of the material are important. In this thesis the evaluation of molecular mechanisms responsible for the… (more)

Subjects/Keywords: Polybutenes; Molecular dynamics

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APA (6th Edition):

Raviprasad, M. (2012). Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study. (Thesis). North Dakota State University. Retrieved from http://hdl.handle.net/10365/26732

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):

Raviprasad, Muniyamuthu. “Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study.” 2012. Thesis, North Dakota State University. Accessed July 09, 2020. http://hdl.handle.net/10365/26732.

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

MLA Handbook (7th Edition):

Raviprasad, Muniyamuthu. “Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study.” 2012. Web. 09 Jul 2020.

Vancouver:

Raviprasad M. Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study. [Internet] [Thesis]. North Dakota State University; 2012. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/10365/26732.

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

Council of Science Editors:

Raviprasad M. Influence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Study. [Thesis]. North Dakota State University; 2012. Available from: http://hdl.handle.net/10365/26732

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


Victoria University of Wellington

26. Mahelona, Keoni Kealoha. Molecular Dynamics: A Study on Slip, Drops, and Graphene.

Degree: 2011, Victoria University of Wellington

Molecular dynamics (MD) is a computational tool used to study physical systems by modeling the atomic-scale interactions between atoms. MD can accurately predict the properties… (more)

Subjects/Keywords: Molecular dynamics; Liquids

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APA (6th Edition):

Mahelona, K. K. (2011). Molecular Dynamics: A Study on Slip, Drops, and Graphene. (Masters Thesis). Victoria University of Wellington. Retrieved from http://hdl.handle.net/10063/1975

Chicago Manual of Style (16th Edition):

Mahelona, Keoni Kealoha. “Molecular Dynamics: A Study on Slip, Drops, and Graphene.” 2011. Masters Thesis, Victoria University of Wellington. Accessed July 09, 2020. http://hdl.handle.net/10063/1975.

MLA Handbook (7th Edition):

Mahelona, Keoni Kealoha. “Molecular Dynamics: A Study on Slip, Drops, and Graphene.” 2011. Web. 09 Jul 2020.

Vancouver:

Mahelona KK. Molecular Dynamics: A Study on Slip, Drops, and Graphene. [Internet] [Masters thesis]. Victoria University of Wellington; 2011. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/10063/1975.

Council of Science Editors:

Mahelona KK. Molecular Dynamics: A Study on Slip, Drops, and Graphene. [Masters Thesis]. Victoria University of Wellington; 2011. Available from: http://hdl.handle.net/10063/1975


Hong Kong University of Science and Technology

27. Lv, Ya. Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems.

Degree: 2013, Hong Kong University of Science and Technology

 The dynamic behaviors of nanoscale confined fluids under temperature gradients can be different from that of bulk fluids. This is because temperature gradients and fluid-wall… (more)

Subjects/Keywords: Molecular dynamics ; Nanostructured materials ; Fluid dynamics

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APA (6th Edition):

Lv, Y. (2013). Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7876 ; https://doi.org/10.14711/thesis-b1214686 ; http://repository.ust.hk/ir/bitstream/1783.1-7876/1/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):

Lv, Ya. “Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems.” 2013. Thesis, Hong Kong University of Science and Technology. Accessed July 09, 2020. http://repository.ust.hk/ir/Record/1783.1-7876 ; https://doi.org/10.14711/thesis-b1214686 ; http://repository.ust.hk/ir/bitstream/1783.1-7876/1/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):

Lv, Ya. “Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems.” 2013. Web. 09 Jul 2020.

Vancouver:

Lv Y. Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2013. [cited 2020 Jul 09]. Available from: http://repository.ust.hk/ir/Record/1783.1-7876 ; https://doi.org/10.14711/thesis-b1214686 ; http://repository.ust.hk/ir/bitstream/1783.1-7876/1/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:

Lv Y. Molecular dynamics (MD) simulation of nanoscale confined fluids under temperature gradients and their applications in thermal systems. [Thesis]. Hong Kong University of Science and Technology; 2013. Available from: http://repository.ust.hk/ir/Record/1783.1-7876 ; https://doi.org/10.14711/thesis-b1214686 ; http://repository.ust.hk/ir/bitstream/1783.1-7876/1/th_redirect.html

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

28. Terämä, Emma. Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation.

Degree: 2007, University of Helsinki, Helsinki Institute of Physics

The thesis focuses on the transport of polar biomolecules and colloid particles studied through atomistic and coarse-grained simulation techniques. The thesis is comprised of two… (more)

Subjects/Keywords: lipid membrane; dielectrophoresis; molecular dynamics

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

APA (6th Edition):

Terämä, E. (2007). Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation. (Thesis). University of Helsinki, Helsinki Institute of Physics. Retrieved from http://lib.tkk.fi/Diss/2007/isbn9521029633/

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):

Terämä, Emma. “Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation.” 2007. Thesis, University of Helsinki, Helsinki Institute of Physics. Accessed July 09, 2020. http://lib.tkk.fi/Diss/2007/isbn9521029633/.

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

MLA Handbook (7th Edition):

Terämä, Emma. “Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation.” 2007. Web. 09 Jul 2020.

Vancouver:

Terämä E. Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation. [Internet] [Thesis]. University of Helsinki, Helsinki Institute of Physics; 2007. [cited 2020 Jul 09]. Available from: http://lib.tkk.fi/Diss/2007/isbn9521029633/.

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

Council of Science Editors:

Terämä E. Transport Phenomena of Polar Biomolecules and Colloids, Perspectives Through Simulation. [Thesis]. University of Helsinki, Helsinki Institute of Physics; 2007. Available from: http://lib.tkk.fi/Diss/2007/isbn9521029633/

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


University of South Australia

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

Degree: PhD, 2003, University of South Australia

Subjects/Keywords: Molecular dynamics

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

APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Galea, Toni-Marie. “Molecular dynamics simulations of shear in fluids and slip at the solid boundary.” 2003. Doctoral Dissertation, University of South Australia. Accessed July 09, 2020. http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759.

MLA Handbook (7th Edition):

Galea, Toni-Marie. “Molecular dynamics simulations of shear in fluids and slip at the solid boundary.” 2003. Web. 09 Jul 2020.

Vancouver:

Galea T. Molecular dynamics simulations of shear in fluids and slip at the solid boundary. [Internet] [Doctoral dissertation]. University of South Australia; 2003. [cited 2020 Jul 09]. Available from: http://arrow.unisa.edu.au:8081/1959.8/81041 ; http://arrow.unisa.edu.au/vital/access/manager/Repository/unisa:43759.

Council of Science Editors:

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


University of Georgia

30. Barnes, Jarrod Wesley. Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex.

Degree: MS, Biochemistry and Molecular Biology, 2004, University of Georgia

 The endopolygalacturonase II enzyme from A. niger was studied with an octameric fragment of -1,4-D-polygalacturonic acid. We present an approach to modeling the complex using… (more)

Subjects/Keywords: Molecular Dynamics

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

APA (6th Edition):

Barnes, J. W. (2004). Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex. (Masters Thesis). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/barnes_jarrod_w_200412_ms

Chicago Manual of Style (16th Edition):

Barnes, Jarrod Wesley. “Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex.” 2004. Masters Thesis, University of Georgia. Accessed July 09, 2020. http://purl.galileo.usg.edu/uga_etd/barnes_jarrod_w_200412_ms.

MLA Handbook (7th Edition):

Barnes, Jarrod Wesley. “Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex.” 2004. Web. 09 Jul 2020.

Vancouver:

Barnes JW. Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex. [Internet] [Masters thesis]. University of Georgia; 2004. [cited 2020 Jul 09]. Available from: http://purl.galileo.usg.edu/uga_etd/barnes_jarrod_w_200412_ms.

Council of Science Editors:

Barnes JW. Molecular dynamics simulation of the endopolygalacturonase II – octagalacturonate complex. [Masters Thesis]. University of Georgia; 2004. Available from: http://purl.galileo.usg.edu/uga_etd/barnes_jarrod_w_200412_ms

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