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Synonyms were used for: Chemie
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Used synonyms:
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Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations
Online Contents | 2016|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Flavonols on graphene: a DFT insight
Online Contents | 2015|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Development of an AMOEBA water model using GEM distributed multipoles
Online Contents | 2015|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Reinvestigation of the ideal atomic shell structure and its application in orbital-free density functional theory
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes
Online Contents | 2015|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
DFT Modeling of Chemical Interactions of the Ethylene Molecule with Nitrogen Oxides
Springer Verlag | 2021|Keywords: Chemistry, Chemistry/Food Science, general, Chemistry and Materials Science -
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?
Online Contents | 2016|Keywords: Theoretische Chemie, Computational chemistry -
Insights into the use of Au19Cu and Au19Pd clusters for adsorption of trivalent arsenic
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Bond formation, electronic structure, and energy storage properties on polyoxometalate–carbon nanocomposites
Online Contents | 2016|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry
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