Computational analysis of the far infrared spectral region of various deuterated varieties of ethylene glycol-Reference-Cited by-同舟云学术

Computational analysis of the far infrared spectral region of various deuterated varieties of ethylene glycol

Published:2020 Issue:41 Volume:22 Page:23785-23794
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Boussessi Rahma¹²³⁴⁵,Senent María Luisa¹²³⁴⁵^ORCID

Affiliation:

1. Departamento de Química y Física Teóricas

2. Instituto de Estructura de la Materia

3. IEM-CSIC

4. Unidad Asociada GIFMAN, CSIC-UHU

5. Madrid 28006

Abstract

The FIR spectrum of three deuterated isotopologues of ethylene glycol are studied using highly correlated ab initio methods, VPT2 theory and a variational procedure of reduced dimensionality.

Funder

Consejo Superior de Investigaciones Científicas

Ministerio de Ciencia e Innovación

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03315D

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3. Interstellar Antifreeze: Ethylene Glycol

4. The ALMA Protostellar Interferometric Line Survey (PILS)

5. The complexity of Orion: an ALMA view

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