Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077275770> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2077275770 abstract "Abstract HF-SCF calculations are reported for the ions PO2− and ClO2− and for the charge-transfer complexes LiPO2 and LiClO2. Ab initio calculations indicate that the association between PO2− and ClO2− with the lithium atom depends on the position of the metal with respect to the anionic group and may occur in either bidentate or monodentate fashion. C2v and Cs symmetry structures were found to be stationary points on the total energy surfaces; the C2v bidentate form is the most stable equilibrium structure. Monodentate isomers of Cs and C2v symmetry were also characterized. Vibrational frequencies of the anions and of the C2v bidentate forms were computed." @default.
- W2077275770 created "2016-06-24" @default.
- W2077275770 creator A5038382169 @default.
- W2077275770 creator A5039945171 @default.
- W2077275770 date "1990-08-01" @default.
- W2077275770 modified "2023-09-25" @default.
- W2077275770 title "Ab initio molecular orbital calculations on LiPO2 and LiClO2 charge-transfer complexes: geometries and vibrational frequencies" @default.
- W2077275770 cites W1599504839 @default.
- W2077275770 cites W1964892191 @default.
- W2077275770 cites W2018812775 @default.
- W2077275770 cites W2027946371 @default.
- W2077275770 cites W2044474170 @default.
- W2077275770 cites W2062316908 @default.
- W2077275770 cites W2063668614 @default.
- W2077275770 cites W2067937681 @default.
- W2077275770 cites W3034941816 @default.
- W2077275770 doi "https://doi.org/10.1016/0166-1280(92)80004-6" @default.
- W2077275770 hasPublicationYear "1990" @default.
- W2077275770 type Work @default.
- W2077275770 sameAs 2077275770 @default.
- W2077275770 citedByCount "4" @default.
- W2077275770 crossrefType "journal-article" @default.
- W2077275770 hasAuthorship W2077275770A5038382169 @default.
- W2077275770 hasAuthorship W2077275770A5039945171 @default.
- W2077275770 hasConcept C115624301 @default.
- W2077275770 hasConcept C121332964 @default.
- W2077275770 hasConcept C134018914 @default.
- W2077275770 hasConcept C139358910 @default.
- W2077275770 hasConcept C145148216 @default.
- W2077275770 hasConcept C147597530 @default.
- W2077275770 hasConcept C178516000 @default.
- W2077275770 hasConcept C178790620 @default.
- W2077275770 hasConcept C183971685 @default.
- W2077275770 hasConcept C185592680 @default.
- W2077275770 hasConcept C188082385 @default.
- W2077275770 hasConcept C24123453 @default.
- W2077275770 hasConcept C2778541603 @default.
- W2077275770 hasConcept C2781442258 @default.
- W2077275770 hasConcept C32909587 @default.
- W2077275770 hasConcept C37197862 @default.
- W2077275770 hasConcept C62520636 @default.
- W2077275770 hasConcept C71924100 @default.
- W2077275770 hasConcept C8010536 @default.
- W2077275770 hasConceptScore W2077275770C115624301 @default.
- W2077275770 hasConceptScore W2077275770C121332964 @default.
- W2077275770 hasConceptScore W2077275770C134018914 @default.
- W2077275770 hasConceptScore W2077275770C139358910 @default.
- W2077275770 hasConceptScore W2077275770C145148216 @default.
- W2077275770 hasConceptScore W2077275770C147597530 @default.
- W2077275770 hasConceptScore W2077275770C178516000 @default.
- W2077275770 hasConceptScore W2077275770C178790620 @default.
- W2077275770 hasConceptScore W2077275770C183971685 @default.
- W2077275770 hasConceptScore W2077275770C185592680 @default.
- W2077275770 hasConceptScore W2077275770C188082385 @default.
- W2077275770 hasConceptScore W2077275770C24123453 @default.
- W2077275770 hasConceptScore W2077275770C2778541603 @default.
- W2077275770 hasConceptScore W2077275770C2781442258 @default.
- W2077275770 hasConceptScore W2077275770C32909587 @default.
- W2077275770 hasConceptScore W2077275770C37197862 @default.
- W2077275770 hasConceptScore W2077275770C62520636 @default.
- W2077275770 hasConceptScore W2077275770C71924100 @default.
- W2077275770 hasConceptScore W2077275770C8010536 @default.
- W2077275770 hasLocation W20772757701 @default.
- W2077275770 hasOpenAccess W2077275770 @default.
- W2077275770 hasPrimaryLocation W20772757701 @default.
- W2077275770 hasRelatedWork W1968327606 @default.
- W2077275770 hasRelatedWork W1982952516 @default.
- W2077275770 hasRelatedWork W1983737584 @default.
- W2077275770 hasRelatedWork W1990302350 @default.
- W2077275770 hasRelatedWork W1999928142 @default.
- W2077275770 hasRelatedWork W2001729100 @default.
- W2077275770 hasRelatedWork W2011663151 @default.
- W2077275770 hasRelatedWork W2014261820 @default.
- W2077275770 hasRelatedWork W2017312553 @default.
- W2077275770 hasRelatedWork W2024154555 @default.
- W2077275770 hasRelatedWork W2050062657 @default.
- W2077275770 hasRelatedWork W2065870713 @default.
- W2077275770 hasRelatedWork W2074838132 @default.
- W2077275770 hasRelatedWork W2078881952 @default.
- W2077275770 hasRelatedWork W2081814475 @default.
- W2077275770 hasRelatedWork W2089256671 @default.
- W2077275770 hasRelatedWork W2093420439 @default.
- W2077275770 hasRelatedWork W2124387775 @default.
- W2077275770 hasRelatedWork W2949727507 @default.
- W2077275770 hasRelatedWork W2952632089 @default.
- W2077275770 isParatext "false" @default.
- W2077275770 isRetracted "false" @default.
- W2077275770 magId "2077275770" @default.
- W2077275770 workType "article" @default.