Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems-Reference-Cited by-同舟云学术

Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems

Published:2022-12-06 Issue:49 Volume:126 Page:9313-9331
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Moura Renaldo T.¹²,Quintano Mateus¹^ORCID,Antonio Juliana J.¹^ORCID,Freindorf Marek¹,Kraka Elfi¹^ORCID

Affiliation:

1. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas75275-0314, United States

2. Department of Chemistry and Physics Center of Agrarian Sciences, Federal University of Paraiba, Areia, PB58397-000, Brazil

Funder

National Science Foundation NSF, USA

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c07871

Reference75 articles.

1. Identification of Enantiomers Using Low-Frequency Raman Spectroscopy

2. Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations

3. Tip-enhanced Raman spectroscopy

4. Advantages, Opportunities, and Challenges of Vibrational Spectroscopy as Tool to Monitor Sustainable Food Systems

5. Making Molecules Vibrate: Interactive Web Environment for the Teaching of Infrared Spectroscopy

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