Theoretical chemistry

Results: 969



#Item
151Computational chemistry / Theoretical chemistry / Atomic physics / Quantum mechanics / Multi-configurational self-consistent field / Slater determinant / Hartree–Fock method / Atomic orbital / Wave function / Chemistry / Physics / Quantum chemistry

AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N)

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Source URL: www.msg.ameslab.gov

Language: English - Date: 2013-11-12 12:31:45
152Theoretical chemistry / Royal Society / Computational chemistry / Molecular dynamics / Molecular modelling / Spectroscopy / Quantum chemistry / Quantum mechanics / Biophysics / Science / Chemistry / Physics

Microsoft Word - CM1405-e.docx

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Source URL: w3.cost.eu

Language: English - Date: 2014-11-23 12:05:12
153Theoretical chemistry / Douglas Hartree / Computational chemistry / Quantum chemistry / Charlotte Froese Fischer / Bertha Swirles / John C. Slater / Density functional theory / Ralph H. Fowler / Chemistry / Science / Fellows of the Royal Society

MOLECULAR PHYSICS, 2000, VOL. 98, NO. 16, 1043 ± 1050 Reminiscences at the end of the Century CHARLOTTE FROESE FISCHER Department of Computer Science, Vanderbilt University, Nashville, TN 37235, USA I was born on 21 Se

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Source URL: www.vuse.vanderbilt.edu

Language: English - Date: 2000-09-24 12:44:22
154Science / Enzyme kinetics / Steady state / Rate equation / Law of mass action / Chemical reaction / Mathematical and theoretical biology / Differential equation / Physical chemistry / Chemistry / Chemical kinetics

Simplifying biochemical models with intermediate species Elisenda Feliu and Carsten Wiuf rsif.royalsocietypublishing.org

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Source URL: www.math.ku.dk

Language: English - Date: 2013-07-25 01:43:49
155Greek alphabet / Computational chemistry / Theoretical chemistry / Quantum mechanics / Diaeresis / Electron / Hamiltonian / Physics / Chemistry / Quantum chemistry

Electronic Structure of Materials Cesare Franchini Computational Materials Physics April 15, 2015

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Source URL: homepage.univie.ac.at

Language: English - Date: 2015-04-21 02:58:41
156Theoretical chemistry / Molecular physics / Computational chemistry / Spectroscopy / Nuclear magnetic resonance spectroscopy / Spartan / Nuclear magnetic resonance / Introduction to quantum mechanics / Electron configuration / Chemistry / Physics / Quantum chemistry

3D – Creating and Displaying 3D Models

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Source URL: www.wavefun.com

Language: English - Date: 2012-07-27 17:37:34
157Leptons / Quantum electrodynamics / Quantum chemistry / Theoretical chemistry / Electron / Positron / Ferromagnetism / Spin / Exchange interaction / Physics / Chemistry / Spintronics

PowerPoint プレゼンテーション

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Source URL: www.taka.jaea.go.jp

Language: English - Date: 2012-01-24 01:22:06
158

7th May, 2015 SHORTLISTED LIST OF SUMMER INTERNSHIP 2015 1st June, 2015 to 25th July, 2015 Theoretical Chemistry (Dr. Aniruddha Chakraborty) Sl.No.

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Source URL: www.iitmandi.ac.in

Language: English - Date: 2015-05-08 06:39:05
    159Force fields / Colloidal chemistry / Physics / Poisson–Boltzmann equation / Subroutines / CHARMM / Fortran / Make / Wrapper function / Computing / Computer programming / Software engineering

    iAPBS Interface: Users’s Guide Robert Konecny University of California San Diego National Biomedical Computation Resource Center for Theoretical Biological Physics

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    Source URL: mccammon.ucsd.edu

    Language: English - Date: 2012-12-10 12:26:47
    160Fire / Bunsen burner / Combustion engineering / Laboratory equipment / Gas burner / Flame / Combustion / Fuel injection / Propane / Technology / Chemistry / Mechanical engineering

    ICMARBURNING IN COUNTERMOVING JETS A.N. Bazhaykin, V.K. Baev Khristianovich Institute of Theoretical and Applied Mechanics of SB RASNovosibirsk, Russia

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    Source URL: www.itam.nsc.ru

    Language: English - Date: 2014-12-04 04:51:53
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