Clarifying notes on the bonding analysis adopted by the energy decomposition analysis.

Bickelhaupt, F Matthias; Fonseca Guerra, Célia; Mitoraj, Mariusz; Sagan, F; Michalak, Artur; Pan, Sudip; Frenking, Gernot

Bickelhaupt, F Matthias; Fonseca Guerra, Célia; Mitoraj, Mariusz; Sagan, F; Michalak, Artur; Pan, Sudip; Frenking, Gernot.

Afiliação

Bickelhaupt FM; Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) and Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, The Netherlands. f.m.bickelhaupt@vu.nl.
Fonseca Guerra C; Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) and Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, The Netherlands. f.m.bickelhaupt@vu.nl.
Mitoraj M; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Gronostajowa 2, 30-387 Cracow, Poland. mitoraj@chemia.uj.edu.pl.
Sagan F; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Gronostajowa 2, 30-387 Cracow, Poland. mitoraj@chemia.uj.edu.pl.
Michalak A; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Gronostajowa 2, 30-387 Cracow, Poland. mitoraj@chemia.uj.edu.pl.
Pan S; Fachbereich Chemie, Philipps-Universität Marburg, Germany. frenking@chemie.uni-marburg.de.
Frenking G; Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing 211816, China.

Phys Chem Chem Phys ; 24(26): 15726-15735, 2022 Jul 06.

Article em En | MEDLINE | ID: mdl-35730200

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Elétrons Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Holanda

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