FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2021844673> ?p ?o ?g. }

• W2021844673 endingPage "34" @default.
• W2021844673 startingPage "25" @default.
• W2021844673 abstract "Theoretical investigations of carbonyl halide complexes, FXCO–H2O (X = F, Cl) have been performed. Structures and vibrational frequencies are determined at the MP2 and B3LYP levels of theory with basis sets up to aug-cc-pVTZ. Two conformers of FXCO–H2O complex have been found. The structures of FXCO–H2O complexes are calculated to be (I) coplanar hydrogen-bonded and (II) angular with C⋯O and O⋯H contacts. Complexation causes the CO bond elongation and the C–F bond contraction. NBO analysis revealed intermolecular charge transfers occur followed by intramolecular charge rearrangement." @default.
• W2021844673 created "2016-06-24" @default.
• W2021844673 creator A5005886945 @default.
• W2021844673 creator A5026899923 @default.
• W2021844673 creator A5058873535 @default.
• W2021844673 creator A5067363906 @default.
• W2021844673 creator A5075262253 @default.
• W2021844673 date "2004-11-01" @default.
• W2021844673 modified "2023-09-26" @default.
• W2021844673 title "Theoretical studies on carbonyl halide–water complexes" @default.
• W2021844673 cites W1965301488 @default.
• W2021844673 cites W1971089607 @default.
• W2021844673 cites W1974192565 @default.
• W2021844673 cites W1975002236 @default.
• W2021844673 cites W1991946793 @default.
• W2021844673 cites W1993077801 @default.
• W2021844673 cites W2000323860 @default.
• W2021844673 cites W2022950330 @default.
• W2021844673 cites W2028499862 @default.
• W2021844673 cites W2031988540 @default.
• W2021844673 cites W2036912632 @default.
• W2021844673 cites W2038767330 @default.
• W2021844673 cites W2039914048 @default.
• W2021844673 cites W2041388429 @default.
• W2021844673 cites W2042679256 @default.
• W2021844673 cites W2048316662 @default.
• W2021844673 cites W2049880469 @default.
• W2021844673 cites W2050303675 @default.
• W2021844673 cites W2051094745 @default.
• W2021844673 cites W2051148961 @default.
• W2021844673 cites W2052607250 @default.
• W2021844673 cites W2061589115 @default.
• W2021844673 cites W2063460539 @default.
• W2021844673 cites W2066270366 @default.
• W2021844673 cites W2075066818 @default.
• W2021844673 cites W2084981306 @default.
• W2021844673 cites W2087316893 @default.
• W2021844673 cites W2089403513 @default.
• W2021844673 cites W2121707655 @default.
• W2021844673 cites W2148941593 @default.
• W2021844673 cites W2177706716 @default.
• W2021844673 cites W245756987 @default.
• W2021844673 cites W2949847437 @default.
• W2021844673 cites W4240035468 @default.
• W2021844673 doi "https://doi.org/10.1016/j.chemphys.2004.07.008" @default.
• W2021844673 hasPublicationYear "2004" @default.
• W2021844673 type Work @default.
• W2021844673 sameAs 2021844673 @default.
• W2021844673 citedByCount "3" @default.
• W2021844673 countsByYear W20218446732016 @default.
• W2021844673 crossrefType "journal-article" @default.
• W2021844673 hasAuthorship W2021844673A5005886945 @default.
• W2021844673 hasAuthorship W2021844673A5026899923 @default.
• W2021844673 hasAuthorship W2021844673A5058873535 @default.
• W2021844673 hasAuthorship W2021844673A5067363906 @default.
• W2021844673 hasAuthorship W2021844673A5075262253 @default.
• W2021844673 hasBestOaLocation W20218446732 @default.
• W2021844673 hasConcept C112887158 @default.
• W2021844673 hasConcept C130188946 @default.
• W2021844673 hasConcept C147597530 @default.
• W2021844673 hasConcept C152365726 @default.
• W2021844673 hasConcept C166950319 @default.
• W2021844673 hasConcept C171560689 @default.
• W2021844673 hasConcept C178790620 @default.
• W2021844673 hasConcept C179104552 @default.
• W2021844673 hasConcept C185592680 @default.
• W2021844673 hasConcept C18705241 @default.
• W2021844673 hasConcept C2776084436 @default.
• W2021844673 hasConcept C2780263894 @default.
• W2021844673 hasConcept C32909587 @default.
• W2021844673 hasConcept C46062151 @default.
• W2021844673 hasConcept C71240020 @default.
• W2021844673 hasConcept C75079739 @default.
• W2021844673 hasConcept C75473681 @default.
• W2021844673 hasConcept C8010536 @default.
• W2021844673 hasConceptScore W2021844673C112887158 @default.
• W2021844673 hasConceptScore W2021844673C130188946 @default.
• W2021844673 hasConceptScore W2021844673C147597530 @default.
• W2021844673 hasConceptScore W2021844673C152365726 @default.
• W2021844673 hasConceptScore W2021844673C166950319 @default.
• W2021844673 hasConceptScore W2021844673C171560689 @default.
• W2021844673 hasConceptScore W2021844673C178790620 @default.
• W2021844673 hasConceptScore W2021844673C179104552 @default.
• W2021844673 hasConceptScore W2021844673C185592680 @default.
• W2021844673 hasConceptScore W2021844673C18705241 @default.
• W2021844673 hasConceptScore W2021844673C2776084436 @default.
• W2021844673 hasConceptScore W2021844673C2780263894 @default.
• W2021844673 hasConceptScore W2021844673C32909587 @default.
• W2021844673 hasConceptScore W2021844673C46062151 @default.
• W2021844673 hasConceptScore W2021844673C71240020 @default.
• W2021844673 hasConceptScore W2021844673C75079739 @default.
• W2021844673 hasConceptScore W2021844673C75473681 @default.
• W2021844673 hasConceptScore W2021844673C8010536 @default.
• W2021844673 hasFunder F4320320912 @default.
• W2021844673 hasIssue "1-3" @default.
• W2021844673 hasLocation W20218446731 @default.
• W2021844673 hasLocation W20218446732 @default.
• W2021844673 hasOpenAccess W2021844673 @default.

• next