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Chem Asian J. 2020 Dec 01;15(23):4043-4054. doi: 10.1002/asia.202001127. Epub 2020 Oct 21.

Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides.

Chemistry, an Asian journal

Daniela Rodrigues Silva, Lucas de Azevedo Santos, Matheus P Freitas, Célia Fonseca Guerra, Trevor A Hamlin

Affiliations

  1. Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam (The, Netherlands.
  2. Departamento de Química, Universidade Federal de Lavras, 37200-900, Lavras-MG, Brazil.
  3. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2333 CC, Leiden (The, Netherlands.

PMID: 33015969 PMCID: PMC7756781 DOI: 10.1002/asia.202001127

Abstract

We have quantum chemically investigated the bonding between archetypical Lewis acids and bases. Our state-of-the-art computations on the X

© 2020 The Authors. Chemistry - An Asian Journal published by Wiley-VCH GmbH.

Keywords: Activation strain analysis; Bond energy; Density functional calculations; Energy decomposition analysis; Lewis acid-base pairs

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