Theoretical chemistry

Results: 969



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141

RESEARCH ACTIVITIES Advanced Electronic Structure Theory in Quantum Chemistry Department of Theoretical and Computational Molecular Science Division of Theoretical Molecular Science I

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Source URL: www.ims.ac.jp

Language: English - Date: 2015-05-17 21:14:29
    142

    DEPARTMENT OF CHEMISTRY OXFORD UNIVERSITY PHYSICAL & THEORETICAL CHEMISTRY LABORATORY THE HINSHELWOOD LECTURES 2015

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    Source URL: www.chem.ox.ac.uk

    - Date: 2015-04-16 07:44:56
      143Computational chemistry / Bioinformatics / Theoretical chemistry / Protein structure / AutoDock / Molecular biology / Docking / CYANA / GROMACS / Chemistry / Science / Molecular modelling

      EGI Applications for... BIOPHYSICS ready-to-use grid computing

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      Source URL: www.egi.eu

      Language: English - Date: 2013-06-24 11:57:17
      144Quantum chemistry / Partial differential equations / Theoretical chemistry / Equations / Schrödinger equation / Perturbation theory / Laguerre polynomials / Hamiltonian / Gaussian quadrature / Physics / Chemistry / Quantum mechanics

      Proceedings of the 8th Conference on Nuclear and Particle Physics, 20-24 Nov. 2011, Hurghada, Egypt THE BOUND STATE ENERGIES OF THE MANNING-ROSEN POTENTIAL Afaf Abdel-Hady

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      Source URL: www.physicsegypt.org

      Language: English - Date: 2012-06-09 09:21:52
      145Radioactivity / Atomic physics / Nuclear fission / Quantum chaos / Nuclear shell model / Nuclear force / Nuclear structure / Nuclear binding energy / Semi-empirical mass formula / Physics / Nuclear physics / Nuclear chemistry

      VILEN MITROFANOVICH STRUTINSKY’S IMPACT ON NUCLEAR AND MANY PARTICLE PHYSICS M. Brack Institute for Theoretical Physics, University of Regensburg, Regensburg, Germany This paper is dedicated to the memory of Vilen Mitr

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      Source URL: www.kinr.kiev.ua

      Language: English - Date: 2011-02-16 06:26:36
      146Quantum chemistry / Theoretical chemistry / Molecular physics / Computational chemistry / Atomic orbital / Fortran / Electron configuration / Hartree–Fock method / Fine structure / Chemistry / Physics / Atomic physics

      INPUT DATA FOR RELATIVISTIC ATOMIC PROGRAM MCDFGME VJ.P. Desclaux1 15 Chemin du Billery, 38360 SASSENAGE France P. Indelicato2 Laboratoire Kastler Brossel,

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      Source URL: dirac.spectro.jussieu.fr

      Language: English - Date: 2005-08-15 08:04:10
      147Quantum chemistry / Atomic physics / Computational physics / Fragment molecular orbital / GAMESS / Coupled cluster / Multi-configurational self-consistent field / Electronic correlation / Møller–Plesset perturbation theory / Chemistry / Computational chemistry / Theoretical chemistry

      Input DescriptionDecember 2014) ********************************* *

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      Source URL: www.msg.ameslab.gov

      Language: English - Date: 2015-01-22 16:25:52
      148Computational chemistry / Theoretical chemistry / Drug discovery / Bioinformatics / Protein structure / Cheminformatics / In silico / Docking / Force field / Chemistry / Science / Molecular modelling

      myPresto 4.2 USER MANUAL Version 1.0 Copyright (CNational Institute of Advanced Industrial Science and Technology (AIST)

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      Source URL: www.jbic.or.jp

      Language: English - Date: 2014-08-26 04:21:25
      149Gases / Chemical engineering / Fluid dynamics / Pressure / Inorganic solvents / Van der Waals equation / Real gas / Vapor pressure / Johannes Diderik van der Waals / Chemistry / Physics / Thermodynamics

      Theoretical competition. Tuesday, 15 JulyProblem 2. Van der Waals equation of state (11 points) In a well-known model of an ideal gas, whose equation of state obeys the Clapeyron-Mendeleev law,

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      Source URL: ipho.phy.ntnu.edu.tw

      Language: English - Date: 2014-12-09 02:06:25
      150Computational chemistry / Force field / Density functional theory / QM/MM / Chemistry / Physics / Molecular modelling

      Marcus Elstner Full Professor. Theoretical Chemistry. Born 1966; Diploma in Physics 1993 TU Berlin; Doctoral Degree 1998; Postdoc 1999 Harvard University; Habilitation in Theoretical Physics 2003 University

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      Source URL: www.chem-bio.kit.edu

      Language: English - Date: 2014-06-26 09:27:33
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