Theoretical chemistry

Results: 969



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11

Journal of Theoretical and Computational Chemistry, Vol. 1, No–349 c World Scientific Publishing Company FIRST PRINCIPLES MOLECULAR DYNAMICS INVOLVING EXCITED STATES AND NONADIABATIC TRANSITIONS

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Source URL: ftp.theochem.ruhr-uni-bochum.de

- Date: 2002-12-09 09:59:01
    12

    Code: XXX-01 48th International Chemistry Olympiad Theoretical Problems

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    Source URL: www.chem.msu.ru

    - Date: 2016-08-05 03:15:41
      13

      We present new ideas which attempt to explain why Deep Learning works, taking lessons from Theoretical Chemistry, and integrating ideas from Protein Folding, Renormalization Group, and Quantum Chemistry. We address the i

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      Source URL: mmds-data.org

      - Date: 2016-06-23 15:50:48
        14Physics / Chemistry / Theoretical physics / Nanomaterials / Graphene / Emerging technologies / Solitons / Electron microscopy / Potential applications of graphene / Full width at half maximum / Transmission electron microscopy / Sine-Gordon equation

        Supporting Information Alden et alpnasDark-Field Transmission Electron Microscopy and Composite Order-Parameter Vector Images from [−2110] Diffraction Spots As stated in the main text, if an apert

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        Source URL: park.chem.cornell.edu

        Language: English - Date: 2014-09-27 18:35:58
        15Chemistry / Theoretical chemistry / Computational chemistry / Chemist / Quantum chemistry / John Pople / Physical chemistry / Biophysics / Molecular dynamics / Henry F. Schaefer /  III / Petr Crsky

        DOC Document

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        Source URL: www.iaqms.org

        Language: English - Date: 2013-10-04 03:25:57
        16Chemistry / Physics / Quantum mechanics / Quantum chemistry / Emerging technologies / Quantum computing / Theoretical computer science / Computational physics / Monte Carlo method / Quantum dot / Quantum algorithm / HartreeFock method

        Invited Talks 17 Stefan Heinrich FB Informatik, Geb

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        Source URL: mcm2001.sbg.ac.at

        Language: English - Date: 2001-09-18 09:11:38
        17Chemistry / Computational chemistry / Molecular modelling / Theoretical chemistry / Molecular dynamics / Scientific modeling / Hydronium / Ab initio / CarParrinello molecular dynamics / Bernd Michael Rode

        Welcome to the Marx Group! Scientific Interests of the Marx Group: A Short Overview The general theme of our research consists in understanding structure, dynamics, and chemical reactions of complex molecular many-body s

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        Source URL: www.theochem.ruhr-uni-bochum.de

        Language: English - Date: 2015-07-02 11:16:52
        18Chemistry / Computational chemistry / Spectroscopy / Quantum chemistry / Molecular physics / Theoretical chemistry / Molecular dynamics / Energy level

        Eur. Phys. J. D 10, 353–THE EUROPEAN PHYSICAL JOURNAL D EDP Sciences c Societ`

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        Source URL: ftp.theochem.ruhr-uni-bochum.de

        Language: English - Date: 2001-11-05 04:12:04
        19Chemistry / Physics / Quantum mechanics / Density functional theory / Quantum chemistry / Atomic physics / Computational chemistry / Theoretical chemistry / HartreeFock method / Jellium / KohnSham equations / Crystal

        Density Functional Theory for Emergents

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        Source URL: www.cond-mat.de

        Language: English - Date: 2013-09-03 08:41:19
        20Biology / Systems ecology / Natural environment / Ecology / Academia / Food web / Ecosystem / Terrestrial ecosystem / Biodiversity / Soil food web / Theoretical ecology

        Linköping University | Department of Physics, Chemistry and Biology Type of thesis, 60 hp | Educational Program: Physics, Chemistry and Biology Spring or Autumn term 2016 | LITH-IFM-A-EX—SE Diversity of ecosy

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        Source URL: liu.diva-portal.org

        Language: English - Date: 2016-08-08 12:35:16
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