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Molecular mechanics
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#	Item
301	Microsoft Word - summary.docx Add to Reading List Source URL: dasher.wustl.edu Language: English - Date: 2014-02-16 12:56:33 Force fields Molecular modelling TINKER Washington University in St. Louis Intermolecular forces CHARMM Molecular mechanics Multipole moment OPLS Chemistry Science Computational chemistry
302	D E PA R T M E N T O F A E R O S PA C E E N G I N E E R I N G Aerospace Engineering Seminar Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions Add to Reading List Source URL: www.aero.psu.edu Language: English - Date: 2014-06-18 16:21:56 Monte Carlo methods Statistical mechanics Molecular dynamics Electrospray Direct simulation Monte Carlo Taylor cone Chemistry Molecular modelling Computational chemistry
303	Microsoft Word - ReleaseHistory.doc Add to Reading List Source URL: zzzfelis.sakura.ne.jp Language: English - Date: 2013-05-03 00:14:00 Molecular physics GAMESS Molecular mechanics Molecular orbital Mouse GUI widget Gabedit Chemistry Science Computational chemistry
304	Summer School on Computational Materials Science Lecture Notes: Ab Initio Molecular Dynamics Simulation Methods in Chemistry Victor S. Batista∗ Yale University, Department of Chemistry, P.O.Box[removed], New Haven, Conne Add to Reading List Source URL: www.chem.yale.edu Language: English - Date: 2014-01-26 09:05:45 Partial differential equations Fourier analysis Uniform polyhedra Equations Schrödinger equation Μ operator Wave packet Fourier transform Truncated dodecahedron Mathematical analysis Physics Quantum mechanics
305	1 Antisymmetrized molecular dynamics and its applications to cluster phenomena Yoshiko Kanada-En’yo1 , Masaaki Kimura2 , and Akira Ono3 1 Department Add to Reading List Source URL: arxiv.org Language: English - Date: 2012-02-09 20:25:25 Computational chemistry Theoretical chemistry Quantum mechanics Nuclear structure Advanced Micro Devices Nuclear force Wave Spin Nucleon Physics Nuclear physics Quantum chemistry
306	MOLECULAR PHYSICS,1980, VOL. 40, No. 4, [removed]E l e c t r o n i c n o n - a d i a b a t i c transitions Derivation of the g e n e r a l a d i a b a t i c - d i a b a t i c t r a n s f o r m a t i o n m a t r i x by Add to Reading List Source URL: www.fh.huji.ac.il Language: English - Date: 2007-08-21 07:56:32 Matrix theory Quantum mechanics Eigenvalues and eigenvectors Singular value decomposition Matrix Matrix difference equation Heat equation Algebra Mathematics Linear algebra
307	The Role of Degenerate States in Chemistry: Advances in Chemical Physics, Volume 124. Edited by Michael Baer and Gert Due Billing. Series Editors I. Prigogine and Stuart A. Rice. Copyright # 2002 John Wiley & Sons, Inc. Add to Reading List Source URL: chemlabs.nju.edu.cn Language: English - Date: 2004-03-19 05:27:54 Quantum mechanics Diabatic Geometric phase Born–Oppenheimer approximation Molecular Hamiltonian Adiabatic process Matrix Eigenvalues and eigenvectors Diagonal matrix Physics Quantum chemistry Algebra
308	THE JOURNAL OF CHEMICAL PHYSICS VOLUME 32, NUMBER 3 MARCH, 1960 Add to Reading List Source URL: deepblue.lib.umich.edu Language: English - Date: 2010-05-07 04:39:41 Quantum mechanics Rectangular potential barrier Rotational spectroscopy Molecular vibration Phosphorus pentafluoride Normal mode Physics Spectroscopy Chemistry
309	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: lmi.bwh.harvard.edu Language: English - Date: 2007-11-28 13:12:51 Particle Computational science Science Computational fluid dynamics Computational physics Statistical mechanics Computational chemistry Molecular dynamics Molecular modelling
310	Thomas W. Shattuck Department of Chemistry Colby College Waterville, Maine 04901 2 Add to Reading List Source URL: www.colby.edu Language: English - Date: 2013-04-19 09:13:32 Stereochemistry Computational chemistry Physical organic chemistry Alkane stereochemistry Force field Molecular mechanics Strain Van der Waals force Implicit solvation Chemistry Intermolecular forces Molecular modelling

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