Molecular dynamics

Results: 1160



#Item
461Franck–Condon principle / Spectroscopy / Quantum chemistry / Molecular physics

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: 2013-03-09 19:11:56
462Cellular automata / Computational fluid dynamics / Computational physics / Polymer physics / Lattice gas automaton / Lattice models / Polymer / Monomer / Molecular dynamics / Chemistry / Physics / Science

LATTICE POLYMER AUTOMATA Steen RASMUSSEN and Joshua R. SMITH a;b a

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Source URL: sensor.cs.washington.edu

Language: English - Date: 2012-09-14 16:56:22
463Computational chemistry / Quantum chemistry / Theoretical chemistry / Molecular dynamics / Molecular modelling / Quantum computer / Alavi / Chemistry / Theoretical computer science / Applied mathematics

  Do we really need Quantum Computers to simulate Quantum Chemistry? Prof. Ali Alavi MPI for Solid State Research, Stuttgart, DE

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Source URL: www.cecam.org

Language: English - Date: 2015-04-08 06:43:55
464Electromagnetic radiation / Infrared spectroscopy / Molecular vibration / Infrared / Selection rule / Dipole / Electric dipole moment / Chemical bond / Rotational spectroscopy / Spectroscopy / Physics / Chemistry

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: 2013-03-09 19:06:55
465Molecular physics / Quantum chemistry / Computational chemistry / Theoretical chemistry / Spectroscopy / Quantum harmonic oscillator / Rigid rotor / Hamiltonian / Matrix / 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: 2013-03-09 19:08:39
466Computational chemistry / Molecular modelling / Molecular dynamics / NAMD / Bioinformatics / Beckman Institute / National Institutes of Health / University of Illinois at Urbana–Champaign / Science / Champaign County /  Illinois / Medicine

Simulating Biomolecules on GPUs with the Multilevel Summation Method David J. Hardy Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology

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Source URL: www.ks.uiuc.edu

Language: English - Date: 2010-09-25 22:53:32
467Equilibrium 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
468Chemistry / Materials science / Measuring instruments / Polymers / Continuum mechanics / Viscometer / Intrinsic viscosity / Gel permeation chromatography / Molar mass distribution / Viscosity / Physics / Fluid dynamics

Experiment 2: Characterization of polyacrylamide (PAM) by viscometry and gel permeation chromatography (optional) Aim: (a) To determine the intrinsic viscosity and molecular weight of polyacrylamide (synthesized in exper

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-24 11:19:11
469Thermodynamics / Dimension theory / Fractals / Multifractal system / Turbulence / Meteorology / Non-equilibrium thermodynamics / Molecular dynamics / Navier–Stokes equations / Physics / Aerodynamics / Fluid dynamics

October 2012: Institute of EnvironmentalPhysics, IUP

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Source URL: www.msc-ep.uni-bremen.de

Language: English - Date: 2012-09-29 07:39:14
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