Ab Initio Highly Correlated Conformational Analysis of 1,2-Difluorethane and 1,2-Dichloroethane-Reference-Cited by-同舟云学术

Ab Initio Highly Correlated Conformational Analysis of 1,2-Difluorethane and 1,2-Dichloroethane

Published:2008-03-22 Issue:5 Volume:4 Page:728-739
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Franco Mauro L.¹,Ferreira Dalva E. C.¹,Santos Hélio F. Dos¹,De Almeida Wagner B.¹

Affiliation:

1. Laboratório de Química Computacional e Modelagem Molecular (LQC-MM), Departamento de Química, ICEx, Universidade Federal de Minas Gerais (UFMG), Campus Universitário, Pampulha, Belo Horizonte, MG, 31270-901, Brazil, Diretoria de Ciências Exatas (DCX), Centro Universitário do Leste de Minas Gerais, UniLeste-MG, Campus I, Coronel Fabriciano, MG, 35170-056, Brazil, and Núcleo de Estudos em Química Computacional (NEQC), Departamento de Química, ICE, Universidade Federal de Juiz de Fora (UFJF), Campus...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800014w

Reference48 articles.

1. Fascination with the Conformational Analysis of Succinic Acid, as Evaluated by NMR Spectroscopy, and Why

2. Orville-Thomas, W. J.Internal Rotation in Molecules;John Wiley & Sons:London, 1974; pp101.

3. The Structure and Internal Motion of 1,2‐Dichloroethane

4. The ground electronic state of 1,2-dichloroethane I. Ab initio investigation of the geometrical, vibrational and torsional structure

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