Molecular mechanics

Results: 397



#Item
171Computational chemistry / Molecular modelling / Quantum chemistry / Potential energy surface / Ab initio quantum chemistry methods / Force field / Density functional theory / Molecular mechanics / Born–Oppenheimer approximation / Chemistry / Theoretical chemistry / Intermolecular forces

Microsoft Word - review[removed]rev.doc

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Source URL: downloads.hindawi.com

Language: English - Date: 2014-08-28 17:27:51
172Molecular diffusion / Transport phenomena / Reaction–diffusion system / Action / Nonlocal Lagrangian / Physics / Classical mechanics / Diffusion

CANADIAN APPLIED MATHEMATICS QUARTERLY Volume 11, Number 3, Fall 2003 A NONLOCAL REACTION-DIFFUSION POPULATION MODEL WITH STAGE

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Source URL: lagrange.math.siu.edu

Language: English - Date: 2009-10-22 18:01:36
173Molecular physics / Nuclear magnetic resonance / Optics / Relaxation / Vibrational energy relaxation / Dephasing / Quantum decoherence / Coherence / Resonance / Physics / Quantum mechanics / Wave mechanics

PROOF COPY 015417JCP JOURNAL OF CHEMICAL PHYSICS VOLUME 120, NUMBER[removed]MAY 2004

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Source URL: www.chem.uci.edu

Language: English - Date: 2004-03-19 16:06:26
174Mechanical engineering / Thermodynamics / Heat conduction / Non-equilibrium thermodynamics / Heat equation / Green–Kubo relations / Langevin equation / Thermal conductivity / Molecular diffusion / Physics / Statistical mechanics / Heat transfer

PRL 112, [removed]week ending 31 JANUARY[removed]PHYSICAL REVIEW LETTERS

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Source URL: www.physik.uni-augsburg.de

Language: English - Date: 2014-01-29 01:12:22
175Science / Molecular physics / Intermolecular forces / Bioinformatics / Molecular dynamics / Force field / Molecular geometry / Molecular mechanics / Molecule / Chemistry / Molecular modelling / Computational chemistry

Humboldt University of Berlin

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Source URL: polymerscience.physik.hu-berlin.de

Language: English - Date: 2013-01-15 05:27:00
176Charge carriers / Atomic physics / Quantum electrodynamics / Electron / Leptons / Chemical bond / Hartree–Fock method / Born–Oppenheimer approximation / Matter wave / Physics / Chemistry / Quantum chemistry

Molecular Mechanics: The Ab Initio Foundation Ju Li GEM4 Summer School 2006 Cell and Molecular Mechanics in BioMedicine

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Source URL: www.openwetware.org

Language: English - Date: 2006-08-21 09:18:05
177Computational chemistry / Classical mechanics / Quantum chemistry / Symplectic geometry / Quantum harmonic oscillator / Molecular dynamics / Partition function / Hamiltonian / Nosé–Hoover thermostat / Physics / Chemistry / Quantum mechanics

week ending 22 JUNE 2012 PHYSICAL REVIEW LETTERS PRL 108, [removed])

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Source URL: www.physik.uni-augsburg.de

Language: English - Date: 2012-06-26 04:37:23
178Theoretical chemistry / Computational chemistry / Quantum mechanics / Chemical bonding / Molecular orbital / Hydrogen atom / Atomic orbital / Electron configuration / Stationary state / Chemistry / Physics / Quantum chemistry

A priori justification of approximations in quantum chemistry David Liao Robert J. Cave, Department of Chemistry, Advisor

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Source URL: qbio.lookatphysics.com

Language: English - Date: 2014-11-10 12:30:46
179Science / Molecular physics / Intermolecular forces / Bioinformatics / Molecular dynamics / Force field / Molecular geometry / Molecular mechanics / Molecule / Chemistry / Molecular modelling / Computational chemistry

Humboldt University of Berlin

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Source URL: polymerscience.physik.hu-berlin.de

Language: English - Date: 2012-12-10 15:10:25
180Numerical analysis / Measurement / Operations research / Uncertainty quantification / Uncertainty / Monte Carlo method / Polynomial chaos / Propagation of uncertainty / Introduction to quantum mechanics / Statistics / Probability and statistics / Mathematical sciences

Steps Towards Uncertainty Assessment for Calculated Atomic and Molecular Data B. J. Braams and H.-K. Chung Nuclear Data Section, Division of Physical and Chemical Sciences (NAPC) International Atomic Energy Agency, A-140

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Source URL: www-amdis.iaea.org

Language: English - Date: 2015-02-13 07:46:15
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