Accurate equilibrium structure of 3-aminophthalimide from gas electron diffraction and coupled-cluster computations and diverse structural effects due to electron density transfer

Erstveröffentlichung

2020

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Wissenschaftlicher Artikel

Authors

Vogt, Natalja

Savelev, Denis

Giricheva, I, Nina

Girichev, V, Georgiy

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Published in

Physical Chemistry Chemical Physics ; 22 (2020), 47. - ISSN 1463-9076. - eISSN 1463-9084

Link to publication

https://dx.doi.org/10.1039/d0cp04423g

Keywords

MOLECULAR-STRUCTURE; MICROWAVE-SPECTRUM; PHASE STRUCTURE; HYDROGEN-BOND; BASIS-SETS; ATOMS; SPECTROSCOPY; FLEXIBILITY; BENCHMARK; INTERPLAY

Dewey Decimal Group

DDC 540 / Chemistry & allied sciences

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