Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

Berquist, Eric J; Daly, Clyde A; Brinzer, Thomas; Bullard, Krista K; Campbell, Zachary M; Corcelli, Steven A; Garrett-Roe, Sean; Lambrecht, Daniel S.

Afiliação

Berquist EJ; Department of Chemistry, University of Pittsburgh , 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, United States.
Daly CA; Pittsburgh Quantum Institute , Pittsburgh, Pennsylvania 15260, United States.
Brinzer T; Department of Chemistry and Biochemistry, University of Notre Dame , Notre Dame, Indiana 46556, United States.
Bullard KK; Department of Chemistry, University of Pittsburgh , 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, United States.
Campbell ZM; Pittsburgh Quantum Institute , Pittsburgh, Pennsylvania 15260, United States.
Corcelli SA; Department of Chemistry, University of Pittsburgh , 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, United States.
Garrett-Roe S; Pittsburgh Quantum Institute , Pittsburgh, Pennsylvania 15260, United States.
Lambrecht DS; Department of Chemistry, University of Pittsburgh , 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, United States.

J Phys Chem B ; 121(1): 208-220, 2017 01 12.

Article em En | MEDLINE | ID: mdl-28036175

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article