Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller–Plesset Perturbation Theory and Configuration Interaction Doubles-Reference-Cited by-同舟云学术

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Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller–Plesset Perturbation Theory and Configuration Interaction Doubles

Published:2024-08-13 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shumberger Brendan M.¹,Crawford T. Daniel¹^ORCID

Affiliation:

1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States

Funder

Division of Chemistry

Division of Materials Research

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00747

Reference44 articles.

1. Optical Activity of Vibrational Origin. I. A Model Helical Polymer

2. Optical Activity of Vibrational Origin. II. Consequences of Polymer Conformation

3. Infrared circular dichroism of carbon-hydrogen and carbon-deuterium stretching modes. Observations

4. Optical Activity of Vibrational Transitions: A Coupled Oscillator Model

5. Vibrational optical activity

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