Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine-Reference-Cited by-同舟云学术

Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine

Published:2014-12-01 Issue:21 Volume:119 Page:5250-5259
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cacelli Ivo¹²,Ferretti Alessandro²,Prampolini Giacomo²

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 3, I-56124 Pisa, Italy

2. Area della Ricerca, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), via G. Moruzzi 1, I-56124 Pisa, Italy

Funder

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp509877q

Reference72 articles.

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4. Continuum Solvation Models in Chemical Physics

5. Dye-containing polymers: methods for preparation of mechanochromic materials

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