Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4 Solution-Reference-Cited by-同舟云学术

Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4 Solution

Published:2002-11-28 Issue:51 Volume:106 Page:12331-12339
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cappelli Chiara¹,Corni Stefano¹,Mennucci Benedetta¹,Cammi Roberto¹,Tomasi Jacopo¹

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via Risorgimento 35, 56126 Pisa, Italy, Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy, and Dipartimento di Chimica Generale ed Inorganica, Università di Parma, Parco Area delle Scienze 1, 43100 Parma, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp021273e

Reference49 articles.

1. Vibrational Circular Dichroism, Predominant Conformations, and Hydrogen Bonding in (S)-(−)-3-Butyn-2-ol

2. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

3. Medium effects on the properties of chemical systems: An overview of recent formulations in the polarizable continuum model (PCM)

4. Medium effects on the properties of chemical systems: Electric and magnetic response of donor-acceptor systems within the polarizable continuum model

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