Extrapolation of Atomic Natural Orbitals of basis set to complete basis set limit

Data publikacji: 29 gru 2017

Zakres stron: 159 - 164

DOI: https://doi.org/10.1515/acs-2017-0026

Słowa kluczowe

basis sets extrapolation, ANO-RCC, aug-cc-pVXZ-DK, noncovalent interaction, MP2, CCSD(T)

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

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