Pyrrole and Pyridine in the Water Environment—Effect of Discrete and Continuum Solvation Models-Reference-Cited by-同舟云学术

Pyrrole and Pyridine in the Water Environment—Effect of Discrete and Continuum Solvation Models

Published:2021-09-14 Issue:38 Volume:6 Page:24693-24699
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Zborowski Krzysztof K.¹,Poater Jordi²³^ORCID

Affiliation:

1. Department of General Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Kraków, Poland

2. Departament de Química Inorgànica i Orgànica and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, 08028 Barcelona, Catalonia, Spain

3. ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain

Funder

Ministerio de Econom??a y Competitividad

Generalitat de Catalunya

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.1c03437

Reference38 articles.

1. Quantum chemical studies of the pyrrole-water and pyridine-water complexes

2. Density Functional Theory Study of the Hydrogen-Bonded Pyridine−H2O Complex: A Comparison with RHF and MP2 Methods and with Experimental Data

3. Hydrogen Bonding in Methyl-Substituted Pyridine−Water Complexes: A Theoretical Study

4. Study on the nature of interaction of pyrrole with various hydrides

5. Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

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