Normal-Mode Vibrational Analysis of Weakly Bound Oligomers at Constrained Stationary Points of Arbitrary Order-Reference-Cited by-同舟云学术

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Normal-Mode Vibrational Analysis of Weakly Bound Oligomers at Constrained Stationary Points of Arbitrary Order

Published:2022-02-24 Issue:3 Volume:18 Page:1788-1798
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Tóbiás Roland¹²,Árendás Péter¹²³,Császár Attila G.¹²^ORCID

Affiliation:

1. Institute of Chemistry, ELTE Eötvös Loránd University, Budapest 1117, Hungary

2. MTA-ELTE Complex Chemical Systems Research Group, Budapest 1117, Hungary

3. Budapest Business School, Budapest 1149, Hungary

Funder

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01148

Reference75 articles.

1. Pulay, P. In Modern Theoretical Chemistry; Schaefer, H. F., III, Ed. Plenum: New York, 1977; Vol. 4, pp 153–185.

2. Császár, A. G.; Allen, W. D.; Yamaguchi, Y.; Schaefer, H. F., III. In Computational molecular spectroscopy; Jensen, P., Bunker, P. R., Eds. Wiley: Chichester, 2000; pp 15–68.

3. Ab Initio Molecular Dynamics

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