On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation-Reference-Cited by-同舟云学术

On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation

Published:2010-04-01 Issue:5 Volume:6 Page:1660-1669
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cappelli Chiara¹,Monti Susanna¹,Scalmani Giovanni¹,Barone Vincenzo¹

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy, Istituto per i Processi Chimico-Fisici del Consiglio Nazionale delle Ricerche, via Moruzzi,1 I-56124 Pisa, Italy, Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, and Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100048g

Reference63 articles.

1. Coherent Two-Dimensional Optical Spectroscopy

2. Applications of 2D IR Spectroscopy to Peptides, Proteins, and Hydrogen-Bond Dynamics

3. A fifth-order perturbation comparison of electron correlation theories

4. The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

5. Anharmonicity in the ring stretching modes of diborane

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