Matches in SemOpenAlex for { <https://semopenalex.org/work/W1976591570> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W1976591570 endingPage "151" @default.
- W1976591570 startingPage "145" @default.
- W1976591570 abstract "Ab initio studies are carried out for the water tetramer with a single H replaced by D, (H 2 O) 3 (HDO). The isomer with D in a free position, H 7 D f O 4 , has ZPE 0.17 kcal/mol higher than the isomer with D in an H-bond, H 7 D b O 4 . The same ZPE difference is found for H b D 7 O 4 vs H f D 7 O 4 . The difference may be large enough for a preference for H rather than D in a free position to be experimentally measurable. Exploration of the components of ZPE shows that the stretch component alone favors H 7 D f O 4 , but this is more than compensated by the bend and torsion components." @default.
- W1976591570 created "2016-06-24" @default.
- W1976591570 creator A5090058600 @default.
- W1976591570 date "2005-03-06" @default.
- W1976591570 modified "2023-10-17" @default.
- W1976591570 title "Positional Isotope Effect for the Water Tetramer" @default.
- W1976591570 cites W1964889229 @default.
- W1976591570 cites W1965559477 @default.
- W1976591570 cites W1967001784 @default.
- W1976591570 cites W1968405214 @default.
- W1976591570 cites W1968417679 @default.
- W1976591570 cites W1975071381 @default.
- W1976591570 cites W1979364624 @default.
- W1976591570 cites W1983093599 @default.
- W1976591570 cites W1984862742 @default.
- W1976591570 cites W1986708721 @default.
- W1976591570 cites W1988532502 @default.
- W1976591570 cites W1992373824 @default.
- W1976591570 cites W1996899409 @default.
- W1976591570 cites W1999145345 @default.
- W1976591570 cites W2007875156 @default.
- W1976591570 cites W2008064870 @default.
- W1976591570 cites W2009220955 @default.
- W1976591570 cites W2009541259 @default.
- W1976591570 cites W2026154407 @default.
- W1976591570 cites W2027824325 @default.
- W1976591570 cites W2029449989 @default.
- W1976591570 cites W2030168725 @default.
- W1976591570 cites W2030774001 @default.
- W1976591570 cites W2031491739 @default.
- W1976591570 cites W2033711121 @default.
- W1976591570 cites W2045191280 @default.
- W1976591570 cites W2053442607 @default.
- W1976591570 cites W2055652630 @default.
- W1976591570 cites W2060745142 @default.
- W1976591570 cites W2063342489 @default.
- W1976591570 cites W2065894786 @default.
- W1976591570 cites W2068888033 @default.
- W1976591570 cites W2071342308 @default.
- W1976591570 cites W2072353200 @default.
- W1976591570 cites W2072482990 @default.
- W1976591570 cites W2081555175 @default.
- W1976591570 cites W2129579634 @default.
- W1976591570 cites W2202212861 @default.
- W1976591570 doi "https://doi.org/10.1163/157404005776611411" @default.
- W1976591570 hasPublicationYear "2005" @default.
- W1976591570 type Work @default.
- W1976591570 sameAs 1976591570 @default.
- W1976591570 citedByCount "0" @default.
- W1976591570 crossrefType "journal-article" @default.
- W1976591570 hasAuthorship W1976591570A5090058600 @default.
- W1976591570 hasConcept C121332964 @default.
- W1976591570 hasConcept C178790620 @default.
- W1976591570 hasConcept C181199279 @default.
- W1976591570 hasConcept C184779094 @default.
- W1976591570 hasConcept C185592680 @default.
- W1976591570 hasConcept C2778886173 @default.
- W1976591570 hasConcept C2781442258 @default.
- W1976591570 hasConcept C58364064 @default.
- W1976591570 hasConcept C69928629 @default.
- W1976591570 hasConcept C71240020 @default.
- W1976591570 hasConcept C8010536 @default.
- W1976591570 hasConceptScore W1976591570C121332964 @default.
- W1976591570 hasConceptScore W1976591570C178790620 @default.
- W1976591570 hasConceptScore W1976591570C181199279 @default.
- W1976591570 hasConceptScore W1976591570C184779094 @default.
- W1976591570 hasConceptScore W1976591570C185592680 @default.
- W1976591570 hasConceptScore W1976591570C2778886173 @default.
- W1976591570 hasConceptScore W1976591570C2781442258 @default.
- W1976591570 hasConceptScore W1976591570C58364064 @default.
- W1976591570 hasConceptScore W1976591570C69928629 @default.
- W1976591570 hasConceptScore W1976591570C71240020 @default.
- W1976591570 hasConceptScore W1976591570C8010536 @default.
- W1976591570 hasIssue "4" @default.
- W1976591570 hasLocation W19765915701 @default.
- W1976591570 hasOpenAccess W1976591570 @default.
- W1976591570 hasPrimaryLocation W19765915701 @default.
- W1976591570 hasRelatedWork W1974052120 @default.
- W1976591570 hasRelatedWork W1998354227 @default.
- W1976591570 hasRelatedWork W2002244197 @default.
- W1976591570 hasRelatedWork W2026610395 @default.
- W1976591570 hasRelatedWork W2074033335 @default.
- W1976591570 hasRelatedWork W2074855824 @default.
- W1976591570 hasRelatedWork W2075843675 @default.
- W1976591570 hasRelatedWork W2097947127 @default.
- W1976591570 hasRelatedWork W2323435156 @default.
- W1976591570 hasRelatedWork W2402698265 @default.
- W1976591570 hasVolume "1" @default.
- W1976591570 isParatext "false" @default.
- W1976591570 isRetracted "false" @default.
- W1976591570 magId "1976591570" @default.
- W1976591570 workType "article" @default.