Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm<sup>–1</sup> for Methyloxirane and Methylthiirane-Reference-Cited by-同舟云学术

Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm^–1 for Methyloxirane and Methylthiirane

Published:2022-09-20 Issue:38 Volume:126 Page:6719-6733
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fusè Marco¹^ORCID,Longhi Giovanna¹²^ORCID,Mazzeo Giuseppe¹^ORCID,Stranges Stefano³⁴^ORCID,Leonelli Francesca⁵,Aquila Giorgia⁵,Bodo Enrico⁵^ORCID,Brunetti Bruno⁶^ORCID,Bicchi Carlo⁷,Cagliero Cecilia⁷^ORCID,Bloino Julien⁸^ORCID,Abbate Sergio¹²^ORCID

Affiliation:

1. Dipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, Italy

2. Istituto Nazionale di Ottica (INO), CNR, Research Unit of Brescia, c/o CSMT, VIA Branze 45, 25123 Brescia, Italy

3. Dipartimento di Chimica e Tecnologia del Farmaco, Università“La Sapienza”, P.le A. Moro 5, 00185 Roma, Italy

4. IOM-CNR, Laboratorio TASC, Basovizza, 34149 Trieste, Italy

5. Dipartimento di Chimica, Università“La Sapienza”, P.le A. Moro 5, 00185 Roma, Italy

6. ISMN-CNR, Università La Sapienza, P.le A. Moro 5, 00185 Roma, Italy

7. Dipartimento di Scienza e Tecnologia del Farmaco, Università degli Studi di Torino, Via Pietro Giuria 9,00124 Torino, Italy

8. Scuola Normale Superiore, Piazza dei Cavalieri, 56125, Pisa, Italy

Funder

Ministero dell'Universit? e della Ricerca

SMART@SNS Laboratory (http://smart.sns.it)

Universit? Roma La Sapienza Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c05332

Reference73 articles.

1. The Vibration-Rotation Energies of Polyatomic Molecules Part II. Accidental Degeneracies

2. Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy

3. Anharmonic effects in vibrational circular dichroism

4. Vibrational optical activity of anharmonic oscillator

5. Dipole and rotational strengths for overtone transitions of a C2-symmetry HCCH molecular fragment using Van Vleck perturbation theory

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