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Theoretical chemistry
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#	Item
921	Millisecond-Scale Molecular Dynamics Simulations on Anton David E. Shaw , Ron O. Dror, John K. Salmon, J.P. Grossman, Kenneth M. Mackenzie, Add to Reading List Source URL: cacs.usc.edu Language: English* - Date: 2013-06-11 14:52:15 Molecular dynamics Theoretical chemistry Molecular modelling Anton Force field N-body simulation Water model Simulation Energy drift Chemistry Computational chemistry Science
922	E LECTRONIC STRUCTURE STUDIES AND METHOD DEVELOPMENT FOR COMPLEX MATERIALS Add to Reading List Source URL: www.diva-portal.org Language: English - Date: 2013-02-19 04:47:34 Theoretical chemistry Molecular physics Quantum mechanics Computational chemistry Density functional theory Electron configuration Electron Schrödinger equation Ab initio quantum chemistry methods Chemistry Physics Quantum chemistry
923	NEWSLETTER There have been a number of changes to the CSA Trust Board of Add to Reading List Source URL: www.csa-trust.org Language: English - Date: 2006-03-09 04:54:18 Cheminformatics Drug discovery CSA Trust Peter Willett Mike Lynch Theoretical chemistry MDL Information Systems Chemist Chemical Computing Group Science Computational chemistry Chemistry
924	Predicted properties of the superheavy elements. II. Element 111, Eka-Gold Add to Reading List Source URL: kobra.bibliothek.uni-kassel.de Language: English - Date: 2012-08-23 08:12:15 Atomic physics Molecular physics Chemical properties Theoretical chemistry Ionization energy Electron configuration Valence electron Atomic orbital Ionization Chemistry Physics Quantum chemistry
925	PDF Document Add to Reading List Source URL: www.wiley.com Language: English - Date: 1998-05-18 05:23:38 Computational chemistry Periodic table Atomic physics Hartree–Fock method Crystal Electron configuration Atomic orbital Lanthanide Relativistic quantum chemistry Chemistry Quantum chemistry Theoretical chemistry
926	pone[removed] Add to Reading List Source URL: www.weizmann.ac.il Language: English - Date: 2013-05-19 03:47:12 Chemical bonding Cell signaling Mathematical and theoretical biology Pharmacology Conformational proofreading Ligand Molecular recognition DNA Conformational change Chemistry Biology Biomolecules
927	PDF Document Add to Reading List Source URL: www.tulane.edu - Date: 1998-09-09 11:01:27 Molecular physics Theoretical chemistry Computational chemistry Molecular orbital Electron Hydrogen Atomic orbital Superatom orbital Chemistry Chemical bonding Quantum chemistry
928	PDF Document Add to Reading List Source URL: www.thch.unipg.it Language: English - Date: 2008-09-03 05:02:18 Chemical bonding Atomic physics Theoretical chemistry Electron Density functional theory Crystal Chemical bond Electron density Atoms in molecules Chemistry Physics Quantum chemistry
929	PDF Document Add to Reading List Source URL: www.tc.chemie.uni-siegen.de Language: English - Date: 2001-10-04 06:01:29 Quantum chemistry Chemical bonding Theoretical chemistry Spintronics Atomic physics Hans Hellmann Hellmann–Feynman theorem Density functional theory Chemical bond Chemistry Physics Science

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