Recent developments in symmetry‐adapted perturbation theory

Symmetry‐adapted perturbation theory (SAPT) is a well‐established method to compute accurate intermolecular interaction energies in terms of physical effects such as electrostatics, induction (polarization), dispersion, and exchange. With many theory levels and variants, and several computer impleme...

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Vydáno v:	Wiley interdisciplinary reviews. Computational molecular science Ročník 10; číslo 3; s. e1452 - n/a
Hlavní autor:	Patkowski, Konrad
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Hoboken, USA Wiley Periodicals, Inc 01.05.2020 Wiley Subscription Services, Inc
Témata:	Catalysis Catalysts Chemical synthesis Density functional theory Dispersion Electronic structure Electrostatic properties Electrostatics Exchanging Graphics Graphics processing units induction Mechanics Molecular interactions Molecular structure noncovalent interactions Perturbation theory Potential energy Scaling Statistical mechanics Symmetry symmetry‐adapted perturbation theory Theories Workflow
ISSN:	1759-0876, 1759-0884
On-line přístup:	Získat plný text
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