Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer–Pople Coordinates: Computation, Analysis, and Fitting-Reference-Cited by-同舟云学术

Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer–Pople Coordinates: Computation, Analysis, and Fitting

Published:2019-06-04 Issue:7 Volume:15 Page:4280-4294
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Paoloni Lorenzo¹^ORCID,Rampino Sergio¹^ORCID,Barone Vincenzo¹^ORCID

Affiliation:

1. SMART Laboratory, Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00363

Reference72 articles.

1. Toward anharmonic computations of vibrational spectra for large molecular systems

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5. Microscopic branching processes: The O + O2reaction and its relaxed potential representations

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