Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms-Reference-Cited by-同舟云学术

Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms

Published:2022-11-23 Issue:48 Volume:126 Page:8945-8954
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Duarte Leonardo J.¹^ORCID,Bruns Roy. E.¹^ORCID

Affiliation:

1. Institute of Chemistry, State University of Campinas.Campinas, SP13083-970, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c05798

Reference31 articles.

1. A charge–charge flux–dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (A=N, P; B=H, F) molecules

2. How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation

3. Sharpe, S.; Sams, R.; Johnson, T. The PNNL Quantitative IR Database for Infrared Remote Sensing and Hyperspectral Imaging, Applied Imagery Pattern Recognition Workshop, 2002. Proceedings, IEEE, 2002; pp 45–48.

4. FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results

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