Open AccessMulticonfigurational electronic wavefunctions in the Full Optimized Reaction Space: the isomerization of nitrosyl hydride to nitrogen hydroxide in the lowest singlet and triplet states
Author(s) -
Mary Gilbert Dombek
Publication year - 2018
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31274/rtd-180813-1440
Subject(s) - wave function , singlet state , isomerization , hydride , chemistry , space (punctuation) , hydroxide , photochemistry , computational chemistry , atomic physics , physics , inorganic chemistry , organic chemistry , hydrogen , catalysis , excited state , linguistics , philosophy