Toward the multi-component quantum theory of atoms in molecules: a variational derivation
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Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution.Where to place the positive muon in the Periodic Table?Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals "alchemical" transformation from a triatomic to a diatomic structure.Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution.Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions.
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P2860
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
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im April 2013 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована у квітні 2013
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name
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
@en
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
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type
label
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
@en
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
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prefLabel
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
@en
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
@nl
P2860
P1476
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
@en
P2860
P2888
P356
10.1007/S00214-013-1365-5
P577
2013-04-11T00:00:00Z