Literature DB >> 21434662

Comment on "Rotational barriers in azobenzene and azonaphthalene".

Robert J Meier1.   

Abstract

Entities:  

Year:  2011        PMID： 21434662     DOI： 10.1021/jp1070659

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


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  2 in total

1.  Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability.

Authors:  Elodie Goldwaser; Benoit de Courcy; Luc Demange; Christiane Garbay; Françoise Raynaud; Reda Hadj-Slimane; Jean-Philip Piquemal; Nohad Gresh
Journal:  J Mol Model       Date:  2014-11-01       Impact factor: 1.810

2.  A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories.

Authors:  Douglas Henrique Pereira; Lucas Colucci Ducati; Roberto Rittner; Rogério Custodio
Journal:  J Mol Model       Date:  2014-03-30       Impact factor: 1.810
  2 in total

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