The role of exact exchange on the structure of water dimer radical cation: Hydrogen bond vs hemibond
Erstveröffentlichung
2023
Wissenschaftlicher Artikel
Published in
The Journal of Chemical Physics ; 159 (2023), 3. - Art.-Nr. 034303. - ISSN 0021-9606. - eISSN 1089-7690
Link to publication
https://dx.doi.org/10.1063/5.0153759Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: DENSITY-FUNCTIONAL THEORY | MAIN-GROUP THERMOCHEMISTRY | HARTREE-FOCK | LIQUID WATER | BAND-GAP | DFT | CLUSTERS | STATES | ION | PHOTOIONIZATION[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences