Molecular mechanics

Results: 397



#Item
131Thermodynamics / Physical quantities / State functions / Computational chemistry / Molecular dynamics / Virial theorem / Quantum mechanics / Particle / Molecular diffusion / Physics / Chemistry / Molecular modelling

The density maximum of water A simulation with the SPC/E water model Hugo Bouma and Hugo van der Wijst Leiden University In the paper, we study certain computer simulations of a modified version of the SPC/E water model,

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Source URL: boinc.gorlaeus.net

Language: English - Date: 2007-12-17 09:33:28
132Colloidal chemistry / Chemistry / Aerosol science / Particle counter / Particle size / Molecular diffusion / Deposition / Particle number / Condensation / Particulates / Fluid dynamics / Fluid mechanics

GAW - WCCAP recommendation mobility particle size spectrometers - Part II recommended particle loss correction Alfred Wiedensohler and Wolfram Birmili Leibniz Institute for Tropospheric Research Correction of Particle L

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Source URL: www.wmo-gaw-wcc-aerosol-physics.org

Language: English - Date: 2014-02-06 02:46:17
133Fluid mechanics / Aerodynamics / Chemical engineering / Corrosion / Flow-accelerated corrosion / Molecular diffusion / Diffusion / FAC / Turbulence / Transport phenomena / Fluid dynamics / Physics

Principal Research Results Development of Prediction Model for Pipe Wall-Thinning by Flow Accelerated Corrosion (FAC) Background Management of pipe wall-thinning, especially Flow Accelerated Corrosion (FAC)* 1 of carb

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Source URL: criepi.denken.or.jp

Language: English - Date: 2010-02-04 23:04:35
134Fluid mechanics / Aerodynamics / Wind tunnel / Wind / Molecular diffusion / Atmospheric sciences / Meteorology / Fluid dynamics

Principal Research Results Development of Numerical Model for Atmospheric Diffusion of Stack Gas from Nuclear Power Stations Background It is necessary to construct more nuclear power stations to realize a low-carbon so

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Source URL: criepi.denken.or.jp

Language: English - Date: 2010-02-04 23:04:34
135Physics / Productive nanosystems / Molecular nanotechnology / Molecular assembler / K. Eric Drexler / Molecular machine / Nanoelectronics / Quantum mechanics / Introduction to quantum mechanics / Nanotechnology / Chemistry / Science

FEATURES www.iop.org/journals/physed Productive nanosystems: the physics of molecular fabrication K Eric Drexler

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Source URL: e-drexler.com

Language: English - Date: 2008-06-05 00:24:59
136Molecular biology / Proteomics / Biophysics / Protein / Molecular motor / Biology / Protein structure / Protein folding

PETER WALL INSTITUTE PRESENTS: INTERNATIONAL VISITING RESEARCH SCHOLAR Mechanics of Single Protein Molecules Dr. Matthias Rief

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Source URL: pwias.ubc.ca

Language: English - Date: 2015-01-16 19:17:45
137Computational chemistry / Chemical bonding / Theoretical chemistry / Quantum mechanics / Diabatic / Resonance / Molecular orbital theory / Valence bond theory / Chemical bond / Chemistry / Physics / Quantum chemistry

J. Phys. Chem. A XXXX, xxx, 000 A On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory†

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:06
138Molecular physics / Quantum chemistry / Intermolecular forces / Force field / Molecular dynamics / Molecular Hamiltonian / Quantum mechanics / Chemical bond / Molecular mechanics / Chemistry / Computational chemistry / Molecular modelling

1890 J. Chem. Theory Comput. 2007, 3, [removed]Design of a Next Generation Force Field: The X-POL Potential

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:04
139Statistical mechanics / Computational chemistry / Lagrangian mechanics / Free energy perturbation / Hagen Kleinert / Path integral formulation / Action / Hydrogen atom / Molecular dynamics / Physics / Quantum mechanics / Quantum field theory

CHAPTER 5 Kinetic Isotope Effects from Hybrid Classical and Quantum Path Integral Computations JIALI GAO, KIN-YIU WONG, DAN T. MAJOR,

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:06
140Force field / Quantum mechanics / Molecule / Physics / Petascale / Chemical equilibrium / Computational chemistry / Arieh Warshel / Chemistry / Science / Molecular modelling

I NDUS TRY DO CTORAL T RAI NI NG CE NTRE IN MATHEMATICS & STATISTICS

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Source URL: www.atn.edu.au

Language: English - Date: 2015-03-22 22:56:46
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