Molecular mechanics

Results: 397



#Item
371Molecular orbital / Atomic orbital / Spin / Electron / Quantum mechanics / Spin contamination / Molecular orbital theory / Chemistry / Physics / Quantum chemistry

Some topics in quantum chemistry Ruben Pauncz, Department of chemistry, Technion, Haifa INTRODUCTION

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Source URL: www.chemistry.org.il

Language: English - Date: 2011-07-26 12:30:35
372Nanotechnology / Nanoelectronics / Quantum point contact / Transistor / Quantum mechanics / Conductance quantum / Molecular scale electronics / Quantum electronics / Electronics / Physics

The single-aTOm TransisTOr: PERSPECTiVES FOR QuANTuM ElECTRONiCS ON THE ATOMiC-SCAlE 1

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Source URL: www.europhysicsnews.org

Language: English
373Fluid dynamics / Partial differential equations / Statistical mechanics / Diffusion / Brownian motion / Viscosity / Kinetic theory / Gas / Molecular diffusion / Physics / Calculus / Mathematical analysis

-I NVESTIGATIONS O N THE THEORY .OF ,THE BROWNIAN MOVEMENT

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Source URL: www.pitt.edu

Language: English - Date: 2013-07-11 17:47:15
374Statistical mechanics / Science / Philosophy of thermal and statistical physics / Theoretical physics / Green–Kubo relations / Molecular dynamics / Ludwig Boltzmann / Phase space / Second law of thermodynamics / Physics / Non-equilibrium thermodynamics / Thermodynamics

Computational Statistical Machanics

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Source URL: williamhoover.info

Language: English - Date: 2003-12-24 19:15:50
375Theoretical chemistry / Molecular physics / Quantum mechanics / Computational chemistry / Density functional theory / Electron configuration / Electron / Schrödinger equation / Ab initio quantum chemistry methods / Chemistry / Physics / Quantum chemistry

E LECTRONIC STRUCTURE STUDIES AND METHOD DEVELOPMENT FOR COMPLEX MATERIALS

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Source URL: www.diva-portal.org

Language: English - Date: 2013-02-19 04:47:34
376Statistical mechanics / Gaussian function / Normal distribution / Molecular modelling / Central limit theorem / Q-Gaussian distribution / Entropy / Molecular dynamics / Statistics / Mathematical analysis / Probability and statistics

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Source URL: intersci.ss.uci.edu

Language: English - Date: 2007-07-29 02:06:08
377Statistical mechanics / Computational chemistry / Partition function / Statistical ensemble / Molecular dynamics / Canonical ensemble / Grand canonical ensemble / Monte Carlo method / Microcanonical ensemble / Physics / Probability and statistics / Science

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Source URL: www.stat.duke.edu

Language: English - Date: 2008-02-12 08:19:16
378Mathematical optimization / Classical mechanics / Algebraic topology / Differential topology / Molecular dynamics / Holonomic / Nonholonomic system / Lagrange multiplier / Constraint / Physics / Mathematics / Mathematical analysis

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Source URL: www.princeton.edu

Language: English - Date: 2013-08-21 21:14:54
379Science / Transport phenomena / Statistical mechanics / Physics / Stochastic processes / Anomalous diffusion / Molecular diffusion / Brownian motion / Single particle tracking / Diffusion / Physical chemistry / Chemistry

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Source URL: www.ncbi.nlm.nih.gov

Language: English
380Chemistry / Open access journals / Statistical mechanics / State functions / Molecular Diversity / Philosophy of thermal and statistical physics / Molecules / MDPI / Entropy / Publishing / Science / Thermodynamic entropy

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Source URL: www.mdpi.org

Language: English - Date: 2006-01-30 12:27:15
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