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Molecular modelling
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31	FAKULTÄT FÜR CHEMIE Einladung zum Vortrag von ___________________________________________________________________ Ass.-Prof. Dipl.-Chem. Dr. Christian Schröder Add to Reading List Source URL: chemie.univie.ac.at Language: English - Date: 2016-04-01 12:57:39 Solutions Computational chemistry Molecular modelling Physical chemistry Ions Ionic liquid Solvation Molecular dynamics Solvent Implicit solvation Solvent models
32	IOP PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER J. Phys.: Condens. Matter (7pp) Add to Reading List Source URL: tmw.phys.nctu.edu.tw Language: English - Date: 2004-06-07 01:23:16 Statistical mechanics Molecular modelling Liquid Viscosity Volume Structure factor Molecular dynamics Radial distribution function
33	Computational Methods in iSpartan Traditional modeling programs offer an assortment of computational methods to the user. Because the time required for a computation is inversely related to the number of approximations u Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2012-08-20 13:21:42 Theoretical chemistry Molecular modelling Spartan Computational chemistry Force field Nuclear magnetic resonance Amsterdam Density Functional PQS
34	J Sci Educ Technol:396–415 DOIs10956Exploring Shifts in Middle School Learners’ Modeling Activity While Generating Drawings, Animations, and Computational Simulations of Molecular Diffu Add to Reading List Source URL: ccl.northwestern.edu Language: English - Date: 2016-05-10 12:16:08 Computational science Scientific modeling Simulation Epistemology of science Interpretation Scientific modelling Conceptual model Business process modeling Computer simulation Visualization
35	Master’s in NANOSCIENCE CÓDE NAME OF MODULE Add to Reading List Source URL: www.mscnano.eu Language: English - Date: 2010-01-13 10:28:54 Educational psychology Scientific modeling Epistemology of science Interpretation Scientific modelling Molecular dynamics Educational technology Lecture Simulation Computer simulation Quantum chemistry
36	APPENDIX 1 List of selected sites in the various part of the world at which QMS is carried out, and prominent scientists. Same order as in Section 3. Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2010-02-28 06:24:47 Computational chemistry Molecular modelling Theoretical chemistry Quantum chemistry Molecular dynamics Henry F. Schaefer III Force field Quantum mechanics Draft:Bernd Michael Rode Bernd Michael Rode
37	APPENDIX 2 List of selected sites at which QMS is carried out and prominent scientists.(EUROPE and AFRICA). Same order as in Section 3. Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2010-02-28 06:25:03 Chemistry Theoretical chemistry Computational chemistry Molecular modelling Quantum chemistry Spartan Molecular dynamics Chemical physics Ab initio quantum chemistry methods Inorganic chemistry TURBOMOLE Molecule
38	Instantaneous normal mode analysis for intermolecular and intramolecular vibrations of water from atomic point of view Yu-Chun Chen, Ping-Han Tang, and Ten-Ming Wu Citation: The Journal of Chemical Physics 139, Add to Reading List Source URL: tmw.phys.nctu.edu.tw Language: English - Date: 2013-12-08 22:52:50 Computational chemistry Spectroscopy Chemical physics Intermolecular forces Molecular modelling Water model Molecule Hydrogen bond Infrared spectroscopy Properties of water Molecular geometry Molecular vibration
39	Amber 12 Reference Manual 2 Amber 12 Add to Reading List Source URL: ambermd.org Language: English - Date: 2012-08-02 14:14:36 Computational chemistry Molecular modelling Molecular dynamics Force fields AMBER Q Peter Kollman Carlos Simmerling Parallel tempering University of California San Diego
40	9th AIMS CONFERENCE – ABSTRACTS 24 Special Session 5: Hybrid Monte Carlo Elena Akhmatskaya, Basque Center for Applied Mathematics, Spain Add to Reading List Source URL: www.aimsciences.org Language: English - Date: 2012-06-23 07:34:50 Monte Carlo methods Molecular modelling Computational chemistry Markov chain Monte Carlo Molecular dynamics Hybrid Monte Carlo Stochastic Monte Carlo molecular modeling Modeling of polymer crystals