FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2045003452> ?p ?o ?g. }

• W2045003452 abstract "The influence of polar molecules on the proton transfer potential within a H-bonded system is studied by ab initio methods, An external HF molecule is placed in various locations in the vicinity of the (H{sub 2}OH {center dot} {center dot} OH{sub 2}){sup +} system. It was found that for most positions the effects on the proton transfer potential could be reproduced very accurately by replacing the full HF molecule by a simple point dipole of magnitude equal to the moment of HF. This result implies that the effects of HF are primarily electrostatic and, further, that attempts to model a large array of solvent molecules by a collection of point dipoles are likely to be successful. The only exceptions occur when H-bonding is possible between HF and (H{sub 2}OH {center dot} {center dot} OH{sub 2}){sup +}. In these cases, the transfer potential is altered to a significantly greater degree by the HF molecule than by the point dipole. It is only when the pertinent H-bonding atoms approach within about 3 {angstrom} that the effects of forces other than electrostatic become noticeable." @default.
• W2045003452 created "2016-06-24" @default.
• W2045003452 creator A5028859676 @default.
• W2045003452 creator A5063505795 @default.
• W2045003452 creator A5085422555 @default.
• W2045003452 date "2009-06-19" @default.
• W2045003452 modified "2023-09-25" @default.
• W2045003452 title "Perturbations of proton transfer potentials caused by polar molecules" @default.
• W2045003452 cites W1589269612 @default.
• W2045003452 cites W1963968192 @default.
• W2045003452 cites W1973902342 @default.
• W2045003452 cites W1975941501 @default.
• W2045003452 cites W1982529189 @default.
• W2045003452 cites W1994338206 @default.
• W2045003452 cites W1998598207 @default.
• W2045003452 cites W2011877636 @default.
• W2045003452 cites W2012717290 @default.
• W2045003452 cites W2018241751 @default.
• W2045003452 cites W2023973308 @default.
• W2045003452 cites W2041013470 @default.
• W2045003452 cites W2045883964 @default.
• W2045003452 cites W2050259427 @default.
• W2045003452 cites W2053488681 @default.
• W2045003452 cites W2056142744 @default.
• W2045003452 cites W2057229773 @default.
• W2045003452 cites W2058363175 @default.
• W2045003452 cites W2062677957 @default.
• W2045003452 cites W2062849896 @default.
• W2045003452 cites W2066369568 @default.
• W2045003452 cites W2066731622 @default.
• W2045003452 cites W2075953313 @default.
• W2045003452 cites W2076067428 @default.
• W2045003452 cites W2082850976 @default.
• W2045003452 cites W2084045349 @default.
• W2045003452 cites W2153936632 @default.
• W2045003452 cites W2466762135 @default.
• W2045003452 cites W4235734707 @default.
• W2045003452 doi "https://doi.org/10.1002/qua.560360716" @default.
• W2045003452 hasPublicationYear "2009" @default.
• W2045003452 type Work @default.
• W2045003452 sameAs 2045003452 @default.
• W2045003452 citedByCount "2" @default.
• W2045003452 countsByYear W20450034522022 @default.
• W2045003452 crossrefType "journal-article" @default.
• W2045003452 hasAuthorship W2045003452A5028859676 @default.
• W2045003452 hasAuthorship W2045003452A5063505795 @default.
• W2045003452 hasAuthorship W2045003452A5085422555 @default.
• W2045003452 hasConcept C121332964 @default.
• W2045003452 hasConcept C1276947 @default.
• W2045003452 hasConcept C147597530 @default.
• W2045003452 hasConcept C162120991 @default.
• W2045003452 hasConcept C173523689 @default.
• W2045003452 hasConcept C178790620 @default.
• W2045003452 hasConcept C183971685 @default.
• W2045003452 hasConcept C184779094 @default.
• W2045003452 hasConcept C185592680 @default.
• W2045003452 hasConcept C198990423 @default.
• W2045003452 hasConcept C2779463800 @default.
• W2045003452 hasConcept C2781442258 @default.
• W2045003452 hasConcept C29705727 @default.
• W2045003452 hasConcept C32909587 @default.
• W2045003452 hasConcept C37407028 @default.
• W2045003452 hasConcept C41999313 @default.
• W2045003452 hasConcept C54516573 @default.
• W2045003452 hasConcept C61978335 @default.
• W2045003452 hasConcept C62520636 @default.
• W2045003452 hasConcept C8010536 @default.
• W2045003452 hasConceptScore W2045003452C121332964 @default.
• W2045003452 hasConceptScore W2045003452C1276947 @default.
• W2045003452 hasConceptScore W2045003452C147597530 @default.
• W2045003452 hasConceptScore W2045003452C162120991 @default.
• W2045003452 hasConceptScore W2045003452C173523689 @default.
• W2045003452 hasConceptScore W2045003452C178790620 @default.
• W2045003452 hasConceptScore W2045003452C183971685 @default.
• W2045003452 hasConceptScore W2045003452C184779094 @default.
• W2045003452 hasConceptScore W2045003452C185592680 @default.
• W2045003452 hasConceptScore W2045003452C198990423 @default.
• W2045003452 hasConceptScore W2045003452C2779463800 @default.
• W2045003452 hasConceptScore W2045003452C2781442258 @default.
• W2045003452 hasConceptScore W2045003452C29705727 @default.
• W2045003452 hasConceptScore W2045003452C32909587 @default.
• W2045003452 hasConceptScore W2045003452C37407028 @default.
• W2045003452 hasConceptScore W2045003452C41999313 @default.
• W2045003452 hasConceptScore W2045003452C54516573 @default.
• W2045003452 hasConceptScore W2045003452C61978335 @default.
• W2045003452 hasConceptScore W2045003452C62520636 @default.
• W2045003452 hasConceptScore W2045003452C8010536 @default.
• W2045003452 hasLocation W20450034521 @default.
• W2045003452 hasOpenAccess W2045003452 @default.
• W2045003452 hasPrimaryLocation W20450034521 @default.
• W2045003452 hasRelatedWork W1620925950 @default.
• W2045003452 hasRelatedWork W1965499178 @default.
• W2045003452 hasRelatedWork W1966544032 @default.
• W2045003452 hasRelatedWork W1967847725 @default.
• W2045003452 hasRelatedWork W1970987358 @default.
• W2045003452 hasRelatedWork W1988585579 @default.
• W2045003452 hasRelatedWork W1991211564 @default.
• W2045003452 hasRelatedWork W1991787033 @default.
• W2045003452 hasRelatedWork W2008370175 @default.
• W2045003452 hasRelatedWork W2009086985 @default.

• next