Journal of Computational Chemistry

Results: 126



#Item
121Computational chemistry / ReaxFF / Intermolecular forces / Molecular dynamics / Force field / Molecular geometry / Chemical bond / Chemical reaction / Crystal / Chemistry / Science / Molecular modelling

THE JOURNAL OF CHEMICAL PHYSICS 122, 054502 ͑2005͒ Thermal decomposition of RDX from reactive molecular dynamics

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Source URL: www.wag.caltech.edu

Language: English - Date: 2005-03-12 14:57:12
122Computational science / Applied mathematics / Mathematical optimization / Energy minimization / Operations research / Global optimization / Simulated annealing / Crystal / Canonical ensemble / Computational chemistry / Science / Monte Carlo methods

JOURNAL OF CHEMICAL PHYSICS VOLUME 120, NUMBER 12

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Source URL: www.phy.ncu.edu.tw

Language: English - Date: 2007-03-28 12:52:22
123Crystallography / Metallurgy / Crystallographic defects / Computational chemistry / Molecular dynamics / Grain boundary / Dislocation / Yield / Crystal structure / Chemistry / Materials science / Physics

New Journal of Physics The open–access journal for physics

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Source URL: theory.cm.utexas.edu

Language: English - Date: 2009-07-17 22:31:04
124Computational chemistry / Theoretical chemistry / Atomic physics / Quantum electrodynamics / Hartree–Fock method / Electron / Virial theorem / Multiplicity / Basis set / Chemistry / Physics / Quantum chemistry

JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER 15

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Source URL: www.tcm.phy.cam.ac.uk

Language: English - Date: 2005-04-23 06:08:54
125Physical quantities / Molecular dynamics / Implicit solvation / Water / Dielectric / Properties of water / Chemistry / Computational chemistry / Molecular modelling

Brazilian Journal of Physics, vol. 34, no. 1, March, [removed]

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Source URL: www.sbfisica.org.br

Language: English - Date: 2004-02-05 14:50:30
126Computational chemistry / Hamiltonian mechanics / Operator theory / Supersymmetric quantum mechanics / Quantum harmonic oscillator / Hamiltonian / Eigenfunction / Physics / Quantum mechanics / Quantum chemistry

Brazilian Journal of Physics, vol. 22, no. 1, March, 1992 S upersymmetric Quantum Mechanics and

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Source URL: www.sbfisica.org.br

Language: English - Date: 2006-05-22 17:51:19
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