Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives-Reference-Cited by-同舟云学术

Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives

Published:2016 Issue:13 Volume:18 Page:8945-8953
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Alves Tiago Vinicius¹²³⁴⁵,Simón-Carballido Luis⁶⁷⁸⁹,Ornellas Fernando Rei¹²³⁴⁵,Fernández-Ramos Antonio⁶⁷⁸⁹

Affiliation:

1. Departamento de Química Fundamental

2. Instituto de Química

3. Universidade de São Paulo

4. São Paulo

5. Brazil

6. Departamento de Química Física e Centro Singular en Química Biolóxica e Materiales Moleculares (CIQUS)

7. Universidade de Santiago de Compostela

8. 15782

9. Spain

Abstract

In this work we present a novel application of the two-dimensional non-separable (2D-NS) method to the calculation of torsional tunneling splittings in systems with two hindered internal rotors.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP05307B

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