FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007938997> ?p ?o ?g. }

• W2007938997 endingPage "10302" @default.
• W2007938997 startingPage "10296" @default.
• W2007938997 abstract "X-Cl...H-Y interactions are analyzed by applying ab initio methods as well as the Bader theory. All calculations were performed using Pople's basis sets (6-311++G(2df,2pd) and 6-311++G(3df,3pd)) as well as the Dunning-type bases (aug-cc-pVDZ and aug-cc-pVTZ) within the MP2 method. For the complexes analyzed here, X-Cl and H-Y may be treated as a Lewis acid and a Lewis base, respectively. The Cl...H interactions are rather weak or at most moderate since, for the strongest interaction of the F3...HLi complex, the binding energy calculated at the MP2/6-311++G(3df,3pd) level of approximation amounts to -3.4 kcal/mol, and the H...Cl distance is equal to 2.65 A, less than the corresponding sum of van der Waals radii. These interactions may be classified as halogen-hydride interactions. However, some of the complexes analyzed, especially F3SiCl...HBeF and F3SiCl...HBeF, are very weakly bound, probably by typical van der Waals interactions." @default.
• W2007938997 created "2016-06-24" @default.
• W2007938997 creator A5026733952 @default.
• W2007938997 creator A5058081846 @default.
• W2007938997 creator A5067732848 @default.
• W2007938997 date "2006-08-01" @default.
• W2007938997 modified "2023-10-17" @default.
• W2007938997 title "Properties of the Halogen−Hydride Interaction: An ab Initio and “Atoms in Molecules” Analysis" @default.
• W2007938997 cites W1968670039 @default.
• W2007938997 cites W1970909730 @default.
• W2007938997 cites W1971275758 @default.
• W2007938997 cites W1975506919 @default.
• W2007938997 cites W1975708211 @default.
• W2007938997 cites W1982063727 @default.
• W2007938997 cites W1985412264 @default.
• W2007938997 cites W1987918731 @default.
• W2007938997 cites W1992030317 @default.
• W2007938997 cites W1993077801 @default.
• W2007938997 cites W1993479982 @default.
• W2007938997 cites W2006117836 @default.
• W2007938997 cites W2009595113 @default.
• W2007938997 cites W2014184137 @default.
• W2007938997 cites W2014901786 @default.
• W2007938997 cites W2015678756 @default.
• W2007938997 cites W2017199865 @default.
• W2007938997 cites W2022950330 @default.
• W2007938997 cites W2034697199 @default.
• W2007938997 cites W2043956500 @default.
• W2007938997 cites W2044940178 @default.
• W2007938997 cites W2049996223 @default.
• W2007938997 cites W2058644611 @default.
• W2007938997 cites W2059102934 @default.
• W2007938997 cites W2064149445 @default.
• W2007938997 cites W2065243431 @default.
• W2007938997 cites W2065569278 @default.
• W2007938997 cites W2068055518 @default.
• W2007938997 cites W2068761445 @default.
• W2007938997 cites W2082269735 @default.
• W2007938997 cites W2090247989 @default.
• W2007938997 cites W2142354539 @default.
• W2007938997 cites W2148941593 @default.
• W2007938997 cites W2151632824 @default.
• W2007938997 cites W2159081899 @default.
• W2007938997 cites W2163844500 @default.
• W2007938997 cites W2164318957 @default.
• W2007938997 cites W2950493572 @default.
• W2007938997 cites W4240035468 @default.
• W2007938997 cites W4300611374 @default.
• W2007938997 doi "https://doi.org/10.1021/jp062289y" @default.
• W2007938997 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16928121" @default.
• W2007938997 hasPublicationYear "2006" @default.
• W2007938997 type Work @default.
• W2007938997 sameAs 2007938997 @default.
• W2007938997 citedByCount "93" @default.
• W2007938997 countsByYear W20079389972012 @default.
• W2007938997 countsByYear W20079389972013 @default.
• W2007938997 countsByYear W20079389972014 @default.
• W2007938997 countsByYear W20079389972015 @default.
• W2007938997 countsByYear W20079389972016 @default.
• W2007938997 countsByYear W20079389972017 @default.
• W2007938997 countsByYear W20079389972018 @default.
• W2007938997 countsByYear W20079389972019 @default.
• W2007938997 countsByYear W20079389972020 @default.
• W2007938997 countsByYear W20079389972021 @default.
• W2007938997 countsByYear W20079389972022 @default.
• W2007938997 crossrefType "journal-article" @default.
• W2007938997 hasAuthorship W2007938997A5026733952 @default.
• W2007938997 hasAuthorship W2007938997A5058081846 @default.
• W2007938997 hasAuthorship W2007938997A5067732848 @default.
• W2007938997 hasConcept C121332964 @default.
• W2007938997 hasConcept C125888099 @default.
• W2007938997 hasConcept C126061179 @default.
• W2007938997 hasConcept C147597530 @default.
• W2007938997 hasConcept C147789679 @default.
• W2007938997 hasConcept C161790260 @default.
• W2007938997 hasConcept C163638829 @default.
• W2007938997 hasConcept C178790620 @default.
• W2007938997 hasConcept C183971685 @default.
• W2007938997 hasConcept C184779094 @default.
• W2007938997 hasConcept C185592680 @default.
• W2007938997 hasConcept C2777961443 @default.
• W2007938997 hasConcept C2780263894 @default.
• W2007938997 hasConcept C2781442258 @default.
• W2007938997 hasConcept C32909587 @default.
• W2007938997 hasConcept C46062151 @default.
• W2007938997 hasConcept C512968161 @default.
• W2007938997 hasConcept C63385615 @default.
• W2007938997 hasConcept C73683733 @default.
• W2007938997 hasConcept C8010536 @default.
• W2007938997 hasConcept C93282013 @default.
• W2007938997 hasConceptScore W2007938997C121332964 @default.
• W2007938997 hasConceptScore W2007938997C125888099 @default.
• W2007938997 hasConceptScore W2007938997C126061179 @default.
• W2007938997 hasConceptScore W2007938997C147597530 @default.
• W2007938997 hasConceptScore W2007938997C147789679 @default.
• W2007938997 hasConceptScore W2007938997C161790260 @default.
• W2007938997 hasConceptScore W2007938997C163638829 @default.
• W2007938997 hasConceptScore W2007938997C178790620 @default.

• next