Open AccessIonization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches
Author(s) -
Sinjini Bhattacharjee,
Miho Isegawa,
Miquel GarcíaRatés,
Frank Neese,
Dimitrios A. Pantazis
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c01267
Subject(s) - solvation , chemistry , coupled cluster , chemical physics , cluster (spacecraft) , ionization , ion , ionization energy , atomic physics , physics , molecule , computer science , organic chemistry , programming language
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