Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes-Reference-Cited by-同舟云学术

Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes

Published:2019-05-13 Issue:6 Volume:15 Page:3570-3579
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zaleśny Robert¹^ORCID,Medved’ Miroslav²,Sitkiewicz Sebastian P.³⁴⁵,Matito Eduard⁴⁶^ORCID,Luis Josep M.⁵^ORCID

Affiliation:

1. Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL−50370 Wrocław, Poland

2. Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, 974 01 Banská Bystrica, Slovak Republic

3. Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), 20080 Donostia, Euskadi, Spain

4. Donostia International Physics Center (DIPC), Manuel Lardizabal Ibilbidea 4, 20018 Donostia, Euskadi, Spain

5. Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona, Campus de Montilivi, 17003 Girona, Catalonia, Spain

6. Ikerbasque Foundation for Science, 48011 Bilbao, Euskadi, Spain

Funder

Ministerio de Econom?a y Competitividad

Narodowe Centrum Nauki

Eusko Jaurlaritza

European Cooperation in Science and Technology

Generalitat de Catalunya

Agent?ra na Podporu V?skumu a V?voja

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications