A new computational tool for interpreting the infrared spectra of molecular complexes-Reference-Cited by-同舟云学术

A new computational tool for interpreting the infrared spectra of molecular complexes

Published:2023 Issue:16 Volume:25 Page:11658-11664
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Iglesias-Reguant Alex¹²^ORCID,Reis Heribert³,Medveď Miroslav⁴⁵^ORCID,Luis Josep M.²^ORCID,Zaleśny Robert⁶^ORCID

Affiliation:

1. Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, PL-87100 Torun, Poland

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

3. Institute of Chemical Biology, National Hellenic Research Foundation (NHRF), Vassileos Constantinou Ave 48th, 116 35 Athens, Greece

4. Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, SK-97400 Banská Bystrica, Slovak Republic

5. Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute (CATRIN), Palacký University in Olomouc, Šlechtitelů 27, 783 71 Olomouc, Czech Republic

6. Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland

Abstract

A new computational tool enables associating the changes in IR spectra occurring upon complex formation with individual types of intermolecular interactions (electrostatic, exchange, induction, and dispersion).

Funder

Generalitat de Catalunya

Narodowe Centrum Nauki

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03562F

Reference83 articles.

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5. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

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