Accuracy of Rotational Parameters Predicted by High-Level Quantum-Chemical Calculations: Case Study of Sulfur-Containing Molecules of Astrochemical Interest-Reference-Cited by-同舟云学术

Accuracy of Rotational Parameters Predicted by High-Level Quantum-Chemical Calculations: Case Study of Sulfur-Containing Molecules of Astrochemical Interest

Published:2018-08-24 Issue:10 Volume:14 Page:5360-5371
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Alessandrini Silvia¹,Gauss Jürgen²,Puzzarini Cristina¹^ORCID

Affiliation:

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

2. Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, D-55099 Mainz, Germany

Funder

Ministero dell?Istruzione, dell?Universit? e della Ricerca

Deutsche Forschungsgemeinschaft

Universit? di Bologna

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00695

Reference99 articles.

1. The molecular universe

2. Complex Organic Interstellar Molecules

3. Astronomical Spectroscopy

4. Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy

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