Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute–Solvent Interactions-Reference-Cited by-同舟云学术

Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute–Solvent Interactions

Published:2012-12-24 Issue:1 Volume:9 Page:470-480
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fukuda Ryoichi¹²,Ehara Masahiro¹²

Affiliation:

1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science and Research Center for Computational Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585, Japan

2. Japan Science and Technology Agency CREST, Sanboncho-5, Chiyoda-ku, Tokyo 102-0075, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300439r

Reference49 articles.

1. Absorption Spectra of Dyes in Solution

2. Electronic Spectral Shifts of Nonpolar Molecules in Nonpolar Solvents

3. Theory of Solvent Effects on Molecular Electronic Spectra. Frequency Shifts

4. Theory of Solvent Effects on Molecular Electronic Spectra

5. Die Lösungsmittelabhängigkeit der Wellenzahl von Elektronenbanden und die chemisch-physikalischen Grundlagen

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