Open AccessGliding on Ice in Search of Accurate and Cost-Effective Computational Methods for Astrochemistry on Grains: The Puzzling Case of the HCN Isomerization
Author(s) -
Carmen Baiano,
Jacopo Lupi,
Vincenzo Barone,
Nicola Tasinato
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.1c01252
Subject(s) - isomerization , density functional theory , potential energy surface , chemical physics , molecule , chemistry , cluster (spacecraft) , hydrogen , energy landscape , computational chemistry , catalysis , computer science , biochemistry , organic chemistry , programming language
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