On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution-Reference-Cited by-同舟云学术

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On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution

Published:2019-10-03 Issue:3 Volume:58 Page:281-289
ISSN:0031-9104
Container-title:Physics and Chemistry of Liquids
language:en
Short-container-title:Physics and Chemistry of Liquids

Author:

Amovilli Claudio¹,Floris Franca Maria¹

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Pisa 56124, Italy

Publisher

Informa UK Limited

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

https://www.tandfonline.com/doi/pdf/10.1080/00319104.2019.1675160

Reference27 articles.

1. Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?

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

3. QM/MM: what have we learned, where are we, and where do we go from here?

4. QM/MM Methods for Biomolecular Systems

5. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Continuum vs. atomistic approaches to computational spectroscopy of solvated systems;Chemical Communications;2023

2. Method to Compute the Solute–Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution;Journal of Chemical Theory and Computation;2022-10-03

3. Solvent effects on Stokes shifts, and NLO response of thieno[3,4-b]pyrazine: A comprehensive QM/MM investigation;Journal of Molecular Liquids;2021-08

4. Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution;Molecular Physics;2020-05-28

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