Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules-Reference-Cited by-同舟云学术

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Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules

Published:2018-11 Issue: Volume:232 Page:190-205
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Ferro-Costas David,Cordeiro M. Natália D.S.,Truhlar Donald G.^ORCID,Fernández-Ramos Antonio^ORCID

Funder

Ministerio de Economia y Competitividad of Spain

Consellería de Cultura, Educación e Ordenación Universitaria

Universitario de Galicia, Xunta de Galicia

Centro singular de investigación de Galicia

European Regional Development Fund

Fundação para a Ciência e a Tecnologia (FCT/MEC) through national funds

European Union

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences

Xunta de Galicia

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference33 articles.

1. Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation: II. Unsymmetrical Tops Attached to a Rigid Frame

2. Analysis of torsional spectra of molecules with two internalC3vrotors. II. Far infrared and low frequency Raman spectra of dimethylether isotopes

3. Variational transition state theory: a simple model for dissociation and recombination reactions of small species

4. Angular‐momentum resolution in transitional‐mode state counting for loose transition states

5. A simple approximation for the vibrational partition function of a hindered internal rotation

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