Perspective: Quantum mechanical methods in biochemistry and biophysics.
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Electric potential invariants and ions-in-molecules effective potentials for molecular Rydberg states.Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic molecules.Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT): Dynamic electron correlation for large, compact active spaces.Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.Regulation and Plasticity of Catalysis in Enzymes: Insights from Analysis of Mechanochemical Coupling in Myosin.Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications
P2860
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P2860
Perspective: Quantum mechanical methods in biochemistry and biophysics.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on October 2016
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@en
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@nl
type
label
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@en
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@nl
prefLabel
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@en
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@nl
P2860
P356
P1476
Perspective: Quantum mechanical methods in biochemistry and biophysics.
@en
P2093
P2860
P304
P356
10.1063/1.4964410
P407
P577
2016-10-01T00:00:00Z