Molecular mechanics

Results: 397



#Item
111Fluid mechanics / Chaos theory / Transport phenomena / Diffusion / Stretching field / Chaotic mixing / Turbulence / Lyapunov exponent / Molecular diffusion / Physics / Dynamical systems / Fluid dynamics

PRL 96, PHYSICAL REVIEW LETTERS week ending 20 JANUARY 2006

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Source URL: www.haverford.edu

Language: English - Date: 2009-09-02 12:52:07
112Fluid mechanics / Physics / Molecular diffusion / Flux / Gas / Mass diffusivity / Transport phenomena / Diffusion / Dynamics

Phil Nightingale Air--sea gas transfer Air Trace gases Deliberate Tracers

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Source URL: www.solas-int.org

Language: English - Date: 2013-04-18 07:41:43
113Statistics / Fluid dynamics / Stochastic processes / Colloidal chemistry / Fractals / Brownian motion / Molecular diffusion / Tracer / Chlamydomonas reinhardtii / Statistical mechanics / Biology / Green algae

PHYSICAL REVIEW LETTERS PRL 103, week ending 6 NOVEMBER 2009

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Source URL: www.haverford.edu

Language: English - Date: 2011-08-04 11:01:35
114Quantum mechanics / Emerging technologies / Graphene / Nanomaterials / Nanopore / Molecular dynamics / Chemical bond / Chemistry / Physics / Nanotechnology

Simulation protocol to obtain open pore i-v characteristics of graphene nanopore. Explained below is a step by step procedure, with all relevent simulation parameters, to configure graphene nanopore membrane in NAMD and

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Source URL: www.ks.uiuc.edu

Language: English - Date: 2014-03-18 23:04:16
115Non-equilibrium thermodynamics / Critical phenomena / Lattice models / Integrable system / Chaos theory / Ising model / Economic model / Dynamics / Molecular dynamics / Physics / Statistical mechanics / Renormalization group

Abstracts of Invited Talks Natan Andrei Rutgers University

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Source URL: www.math.rutgers.edu

Language: English - Date: 2015-04-29 14:31:42
116Quantum mechanics / Quantum chemistry / Theoretical chemistry / Molecular physics / Atomic orbital / Hydrogen atom / Principal quantum number / Azimuthal quantum number / Electron configuration / Physics / Chemistry / Atomic physics

LectureNotesWithBlanks_6_FA08

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-09 12:19:29
117Spectroscopy / Quantum mechanics / Molecular physics / Quantum chemistry / Atomic physics / Molecular vibration / Diatomic molecule / Molecule / Molecular orbital diagram / Chemistry / Physics / Science

MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-14 19:03:48
118Force field / Molecular dynamics / OPLS / Molecular mechanics / BOSS / Solution / Partition coefficient / Z-matrix / Chemistry / Computational chemistry / Molecular modelling

MCPRO, Version 2.0 Monte Carlo Simulations for Biomolecules User’s Manual William L. Jorgensen and Julian Tirado-Rives Department of Chemistry, Yale University

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Source URL: www.cemcomco.com

Language: English - Date: 2005-02-25 15:46:15
119Intermolecular forces / Molecular physics / Molecular dynamics / BOSS / Force field / OPLS / PM3 / Molecular mechanics / Solution / Chemistry / Computational chemistry / Molecular modelling

BOSS, Version 4.6 Biochemical and Organic Simulation System User’s Manual for UNIX, Linux, and Windows William L. Jorgensen

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Source URL: www.cemcomco.com

Language: English - Date: 2005-02-25 13:57:41
120Equilibrium chemistry / Ion-association / Solvents / Ionic liquid / Intimate ion pair / Conductivity / Solvation / Magnesium in biology / Lithium-ion battery / Chemistry / Solutions / Physical chemistry

Article pubs.acs.org/JACS The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics

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Source URL: perssongroup.lbl.gov

Language: English - Date: 2015-04-13 12:23:58
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