Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution-Reference-Cited by-同舟云学术

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Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution

Published:2024-01 Issue: Volume:305 Page:123485
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Sepali Chiara,Lafiosca Piero^ORCID,Gómez Sara^ORCID,Giovannini Tommaso^ORCID,Cappelli Chiara^ORCID

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference108 articles.

1. Vibrational Optical Activity: Principles and Applications;Nafie,2011

2. Calculation of raman optical activity spectra of methyl-β-d-glucose incorporating a full molecular dynamics simulation of hydration effects;Cheeseman;J. Am. Chem. Soc.,2011

3. Application of electronic circular dichroism in configurational and conformational analysis of organic compounds;Berova;Chem. Soc. Rev.,2007

4. Rayleigh and Raman scattering from optically active molecules;Barron;Mol. Phys.,1971

5. Rayleigh scattering of polarized photons by molecules;Atkins;Mol. Phys.,1969

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1. Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution;The Journal of Physical Chemistry B;2024-02-28

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