Spin States and Other Ligand–Field States of Aqua Complexes Revisited with Multireference ab Initio Calculations Including Solvation Effects
Author:
Affiliation:
1. Department of Inorganic Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, Krakow 30-387, Poland
Funder
Ministerstwo Nauki i Szkolnictwa Wyzszego
Infrastruktura PL-Grid
Uniwersytet Jagiellonski w Krakowie
Narodowe Centrum Nauki
European Cooperation in Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00200
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5. Multireference and Multiconfiguration Ab Initio Methods in Heme-Related Systems: What Have We Learned So Far?
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