Molecular mechanics

Results: 397



#Item
21Physics / Quantum mechanics / Schrdinger equation / Free particle / Kinetic energy / Laws of science / Wave function / Particle in a box / Molecular Hamiltonian

TheSchrödingerEquation.nb

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Source URL: quantum.bu.edu

Language: English - Date: 2005-08-18 15:10:41
22Chemistry / Spectroscopy / Physics / Quantum mechanics / Quantum chemistry / Molecular physics / Wave function / Wave packet / Wave

This material has been prepared and made freely available by the financial support of National Science Foundation (CAREER, CHEand CHEand Camille and Henry Dreyfus Foundation, Inc. Any opinions, finding

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Source URL: www.scs.illinois.edu

Language: English - Date: 2013-01-10 12:31:59
23Surface science / Intermolecular forces / Fluid mechanics / Fluid dynamics / Computational chemistry / Hydrophobe / Wetting / No-slip condition / Surface tension / Molecular dynamics / Contact angle / Liquid

Eur. Phys. J. E: 127 DOIepje/i2015y THE EUROPEAN PHYSICAL JOURNAL E

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Source URL: comp-phys.univie.ac.at

Language: English - Date: 2016-05-10 04:34:19
24Carbon nanotubes / Space elevator / Buckling / Polydimethylsiloxane

NANO LETTERS Molecular Scale Buckling Mechanics in Individual Aligned Single-Wall Carbon Nanotubes on Elastomeric Substrates

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Source URL: rogers.matse.illinois.edu

Language: English - Date: 2008-01-11 07:36:04
25Computational chemistry / Molecular modelling / Intermolecular forces / Computational physics / Theoretical chemistry / Molecular dynamics / Ewald summation / Particle Mesh / Van der Waals force / Molecular mechanics

Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis

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Source URL: www5.in.tum.de

Language: English
26Statistical mechanics / Molecular modelling / Liquid / Viscosity / Volume / Structure factor / Molecular dynamics / Radial distribution function

IOP PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER J. Phys.: Condens. Matter (7pp)

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Source URL: tmw.phys.nctu.edu.tw

Language: English - Date: 2004-06-07 01:23:16
27Computational chemistry / Molecular modelling / Theoretical chemistry / Quantum chemistry / Molecular dynamics / Henry F. Schaefer /  III / Force field / Quantum mechanics / Draft:Bernd Michael Rode / Bernd Michael Rode

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.

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Source URL: www.iaqms.org

Language: English - Date: 2010-02-28 06:24:47
28Quantum mechanics / Incidence geometry / Oval / Projective geometry / Perturbation theory / Raman scattering / Relaxation / Heat transfer physics

Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse George A. Hagedorn∗ Department of Mathematics and Center for Statistical Mechanics, Mathematical Physics, and Theoretical Chemistry Vi

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Source URL: www.math.vt.edu

Language: English - Date: 2013-05-09 19:33:08
29Computational chemistry / Molecular dynamics / Numerical analysis / Scientific modeling / Ordinary differential equations / Variational integrator / Geometric integrator / Numerical methods for ordinary differential equations / Integrator / Finite element method / Lagrangian mechanics / Energy drift

247 Eurographics/ ACM SIGGRAPH Symposium on Computer AnimationA. Bargteil and M. van de Panne (Editors) Asynchronous Integration with Phantom Meshes David Harmon† , Qingnan Zhou, and Denis Zorin

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Source URL: www.cs.nyu.edu

Language: English - Date: 2011-08-14 17:42:47
30Molecular dynamics / Computational chemistry / State functions / Energy drift / Thermodynamics / Computational physics / Equipartition theorem / Verlet integration / Temperature / Hamiltonian mechanics / T / Periodic boundary conditions

Equipartition and the Calculation of Temperature in Biomolecular Simulations

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Source URL: www.deshawresearch.com

Language: English - Date: 2010-09-27 16:06:45
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