Matches in SemOpenAlex for { <https://semopenalex.org/work/W2891207788> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2891207788 endingPage "1667" @default.
- W2891207788 startingPage "1662" @default.
- W2891207788 abstract "We performed theoretical investigation on mechanisms of LiD/LiH/LiT+H2O reactions with second order perturbation theory (MP2). Calculations of enthalpy change and reaction rate constant are in agreement with experimental data and other theoretical values. Results show that two reaction channels exist for LiD + H2O reaction, and channel 1 is the main reaction channel. Kinetic Isotope Effect (KIE) is not so large although fracture of isotope bond takes place in the reaction, which is noticeably different from theoretical maximums of primary isotope effect. Individual contributions of KIE effect are listed as follows ηvib > ηrot > ηtun > ηpot > ηtrans, indicating that main contribution of isotope effect results from vibration factor." @default.
- W2891207788 created "2018-09-27" @default.
- W2891207788 creator A5000862800 @default.
- W2891207788 creator A5004519561 @default.
- W2891207788 creator A5019565715 @default.
- W2891207788 creator A5079171275 @default.
- W2891207788 date "2018-06-01" @default.
- W2891207788 modified "2023-09-25" @default.
- W2891207788 title "H Isotope Effects in 6,7LiX (X=H, D, T)+H2O Deliquescence Reactions: a Quantum Chemistry Study" @default.
- W2891207788 cites W1463789726 @default.
- W2891207788 cites W1982014768 @default.
- W2891207788 cites W1989016930 @default.
- W2891207788 cites W1996067882 @default.
- W2891207788 cites W2013469443 @default.
- W2891207788 cites W2029404510 @default.
- W2891207788 cites W2035506992 @default.
- W2891207788 cites W2061523479 @default.
- W2891207788 cites W2078038668 @default.
- W2891207788 cites W2278847514 @default.
- W2891207788 cites W2316844061 @default.
- W2891207788 cites W961983696 @default.
- W2891207788 doi "https://doi.org/10.1016/s1875-5372(18)30147-4" @default.
- W2891207788 hasPublicationYear "2018" @default.
- W2891207788 type Work @default.
- W2891207788 sameAs 2891207788 @default.
- W2891207788 citedByCount "2" @default.
- W2891207788 countsByYear W28912077882021 @default.
- W2891207788 countsByYear W28912077882023 @default.
- W2891207788 crossrefType "journal-article" @default.
- W2891207788 hasAuthorship W2891207788A5000862800 @default.
- W2891207788 hasAuthorship W2891207788A5004519561 @default.
- W2891207788 hasAuthorship W2891207788A5019565715 @default.
- W2891207788 hasAuthorship W2891207788A5079171275 @default.
- W2891207788 hasConcept C121332964 @default.
- W2891207788 hasConcept C135889238 @default.
- W2891207788 hasConcept C147597530 @default.
- W2891207788 hasConcept C147789679 @default.
- W2891207788 hasConcept C148898269 @default.
- W2891207788 hasConcept C164304813 @default.
- W2891207788 hasConcept C184779094 @default.
- W2891207788 hasConcept C185544564 @default.
- W2891207788 hasConcept C185592680 @default.
- W2891207788 hasConcept C192562407 @default.
- W2891207788 hasConcept C3288061 @default.
- W2891207788 hasConcept C58364064 @default.
- W2891207788 hasConcept C62520636 @default.
- W2891207788 hasConcept C69928629 @default.
- W2891207788 hasConcept C93391505 @default.
- W2891207788 hasConcept C97355855 @default.
- W2891207788 hasConceptScore W2891207788C121332964 @default.
- W2891207788 hasConceptScore W2891207788C135889238 @default.
- W2891207788 hasConceptScore W2891207788C147597530 @default.
- W2891207788 hasConceptScore W2891207788C147789679 @default.
- W2891207788 hasConceptScore W2891207788C148898269 @default.
- W2891207788 hasConceptScore W2891207788C164304813 @default.
- W2891207788 hasConceptScore W2891207788C184779094 @default.
- W2891207788 hasConceptScore W2891207788C185544564 @default.
- W2891207788 hasConceptScore W2891207788C185592680 @default.
- W2891207788 hasConceptScore W2891207788C192562407 @default.
- W2891207788 hasConceptScore W2891207788C3288061 @default.
- W2891207788 hasConceptScore W2891207788C58364064 @default.
- W2891207788 hasConceptScore W2891207788C62520636 @default.
- W2891207788 hasConceptScore W2891207788C69928629 @default.
- W2891207788 hasConceptScore W2891207788C93391505 @default.
- W2891207788 hasConceptScore W2891207788C97355855 @default.
- W2891207788 hasFunder F4320321001 @default.
- W2891207788 hasIssue "6" @default.
- W2891207788 hasLocation W28912077881 @default.
- W2891207788 hasOpenAccess W2891207788 @default.
- W2891207788 hasPrimaryLocation W28912077881 @default.
- W2891207788 hasRelatedWork W106844128 @default.
- W2891207788 hasRelatedWork W1980089164 @default.
- W2891207788 hasRelatedWork W2001532159 @default.
- W2891207788 hasRelatedWork W2001825068 @default.
- W2891207788 hasRelatedWork W2011816912 @default.
- W2891207788 hasRelatedWork W2058214646 @default.
- W2891207788 hasRelatedWork W2073777025 @default.
- W2891207788 hasRelatedWork W2079362725 @default.
- W2891207788 hasRelatedWork W2101467081 @default.
- W2891207788 hasRelatedWork W2975909635 @default.
- W2891207788 hasVolume "47" @default.
- W2891207788 isParatext "false" @default.
- W2891207788 isRetracted "false" @default.
- W2891207788 magId "2891207788" @default.
- W2891207788 workType "article" @default.