Accurate Excited-State Geometries: a CASPT2 and...

Accurate Excited-State Geometries: a CASPT2 and Coupled-Cluster Reference Database for Small Molecules

Budzak, Simon, Scalmani, Giovanni, Jacquemin, Denis
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00921
Date:
November, 2017
File:
PDF, 668 KB
english, 2017
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