Showing 1 - 8 results of 8 for search 'QUANTUM MECHANICS', query time: 0.45s Refine Results
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    by Jiménez Meza, Karla Andrea
    Published 2019
    ... of the carrier charge. Electronic structure calculations were carried out through quantum mechanics using...
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  4. 4
    by Alzate Morales, Jans
    Published 2012
    ... explicar utilizando un descriptor obtenido con los métodos de cálculo híbridos QM/MM (Quantum Mechanics...
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  5. 5
    by Saavedra Rivas, Leslie
    Published 2013
    ... where these interactions are present. Through quantum mechanics along with molecular dynamics...
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  6. 6
    by Menendez San Francisco, Marcos
    Published 2015
    ... physical interpretation.With the MPD method, a connection between Quantum Mechanics and the classical Lewis...
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  7. 7
    ... of the experimental results, based on quantum chemical and kinetic and spectra simulations of ESR/NMR. The results...
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  8. 8
    ... mechanism for the isomerization reaction begins with substrate binding to the catalytic site, which induces...
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