Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules-Reference-Cited by-同舟云学术

Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules

Published:2015-02-20 Issue:10 Volume:119 Page:2058-2082
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Piccardo Matteo¹,Penocchio Emanuele¹²,Puzzarini Cristina²,Biczysko Malgorzata³,Barone Vincenzo¹

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy

2. Dipartimento di Chimica “Giacomo Ciamician”, Universitá di Bologna, Via Selmi 2, I-40126 Bologna, Italy

3. Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Area della Ricerca CNR, UOS di Pisa, Via G. Moruzzi 1, I-56124 Pisa, Italy

Funder

European Research Council

European Cooperation in Science and Technology

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp511432m

Reference131 articles.

1. The accurate determination of molecular equilibrium structures