Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane-Reference-Cited by-同舟云学术

Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane

Published:2014-07-21 Issue:3 Volume:141 Page:034107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Barone Vincenzo¹,Biczysko Malgorzata¹²,Bloino Julien¹²,Puzzarini Cristina³

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy

2. Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca CNR, Via G. Moruzzi 1, I-56124 Pisa, Italy

3. Dipartimento di Chimica “Giacomo Ciamician,” Università di Bologna, Via F. Selmi 2, I-40126 Bologna, Italy

Funder

European Cooperation in Science and Technology (COST)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4887357

Reference102 articles.

1. Comprehensive Chiroptical Spectroscopy

2. G. Yang, and Y. Xu, in Electronic and Magnetic Properties of Chiral Molecules and Supramolecular Architectures, Topics in Current Chemistry Vol. 298, edited by R. Naaman, D. N. Beratan, and D. H. Waldeck (Springer, 2011), pp. 189–236.

3. Vibrational spectra of epoxypropane

4. Vibrational circular dichroism in the carbon-hydrogen and carbon-deuterium stretching modes of (S,S)-[2,3-2H2]oxirane

5. Theory of vibrational circular dichroism: trans-2,3-dideuteriooxirane

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