A VPT2 Route to Near-Infrared Spectroscopy: The Role of Mechanical and Electrical Anharmonicity-Reference-Cited by-同舟云学术

A VPT2 Route to Near-Infrared Spectroscopy: The Role of Mechanical and Electrical Anharmonicity

Published:2015-01-15 Issue:21 Volume:119 Page:5269-5287
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bloino Julien¹²

Affiliation:

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

2. Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy

Funder

Gaussian, Inc.

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp509985u

Reference112 articles.

1. Grunenberg, J., Ed.Computational Spectroscopy: Methods, Experiments and Applications;John Wiley & Sons, Inc.:New York, 2010; p432.

2. Computational Strategies for Spectroscopy

3. Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments

4. Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G.CFour A Quantum Chemical Program Package. 2011.

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