Description of Solvatochromism of Peak Broadening in Absorption Spectra in Solution Using the Reference Interaction Site Model Self-Consistent Fields Spatial Electron Density Distribution-Reference-Cited by-同舟云学术

Description of Solvatochromism of Peak Broadening in Absorption Spectra in Solution Using the Reference Interaction Site Model Self-Consistent Fields Spatial Electron Density Distribution

Published:2023-11-15 Issue:47 Volume:127 Page:10142-10150
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Negishi Naoki¹,Yokogawa Daisuke¹^ORCID

Affiliation:

1. Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Precursory Research for Embryonic Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c05013

Reference35 articles.

1. Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model

2. Quantum Mechanical Continuum Solvation Models

3. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

4. Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization

5. QUANTUM MECHANICAL METHODS FOR ENZYME KINETICS

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