FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2896082165> ?p ?o ?g. }

• W2896082165 endingPage "96" @default.
• W2896082165 startingPage "87" @default.
• W2896082165 abstract "The dynamic and static nature of each hydrogen bond (HB) in acetic acid dimer (1), acetamide dimer (2a), thio- and seleno-derivatives of 2a (2b and 2c, respectively), and acetic acid–acetamide mixed dimer (3) was elucidated with QTAIM dual functional analysis (QTAIM-DFA). Such multi-HBs will form in 1–3, in close proximity in space, and interact mutually and strongly with each other. Perturbed structures generated using coordinates derived from the compliance force constants (Cij: the method being called CIV) are employed in QTAIM-DFA, for the establishment of the methodology to elucidate the nature of each HB in the multi-HBs. The dynamic nature of interactions with CIV is described as the “intrinsic dynamic nature of interactions”, since the coordinates corresponding to Cij are invariant to the choice of the coordinate system. Each HB in the multi-HBs of 1–3 are predicted to have the nature of CT-MC (molecular complex formation through charge transfer) appear at the regular closed shell region, which are stronger than each HB of the isomers of 1–3. The methodology to elucidate the nature of multi-HBs is well established, which employs the perturbed structures generated with CIV for QTAIM-DFA. A method to analyze the nature of each HB in multi-HBs is established, exemplified by acetic acid dimer (1) and related species. Each HB in 1 is predicted to have the nature of CT-MC (molecular complex formation through charge transfer) appearing at the regular closed shell region." @default.
• W2896082165 created "2018-10-26" @default.
• W2896082165 creator A5061686413 @default.
• W2896082165 creator A5062721947 @default.
• W2896082165 creator A5085842239 @default.
• W2896082165 date "2019-01-15" @default.
• W2896082165 modified "2023-10-18" @default.
• W2896082165 title "Behavior of Multi-HBs in Acetic Acid Dimer and Related Species: QTAIM Dual Functional Analysis Employing Perturbed Structures Generated Using Coordinates from Compliance Force Constants" @default.
• W2896082165 cites W1528130557 @default.
• W2896082165 cites W1560397074 @default.
• W2896082165 cites W1857171955 @default.
• W2896082165 cites W1966358628 @default.
• W2896082165 cites W1968506014 @default.
• W2896082165 cites W1969654911 @default.
• W2896082165 cites W1973548380 @default.
• W2896082165 cites W1973665614 @default.
• W2896082165 cites W1979579269 @default.
• W2896082165 cites W1981111904 @default.
• W2896082165 cites W1982407551 @default.
• W2896082165 cites W1983436447 @default.
• W2896082165 cites W1986007884 @default.
• W2896082165 cites W2001029897 @default.
• W2896082165 cites W2001919188 @default.
• W2896082165 cites W2019449003 @default.
• W2896082165 cites W2023045222 @default.
• W2896082165 cites W2024650739 @default.
• W2896082165 cites W2025297766 @default.
• W2896082165 cites W2026613473 @default.
• W2896082165 cites W2027147151 @default.
• W2896082165 cites W2028693420 @default.
• W2896082165 cites W2029077627 @default.
• W2896082165 cites W2036746220 @default.
• W2896082165 cites W2042355896 @default.
• W2896082165 cites W2043956500 @default.
• W2896082165 cites W2044940178 @default.
• W2896082165 cites W2051469879 @default.
• W2896082165 cites W2068396285 @default.
• W2896082165 cites W2073514434 @default.
• W2896082165 cites W2081504104 @default.
• W2896082165 cites W2089962804 @default.
• W2896082165 cites W2091794338 @default.
• W2896082165 cites W2092534035 @default.
• W2896082165 cites W2093981928 @default.
• W2896082165 cites W2113701650 @default.
• W2896082165 cites W2124437805 @default.
• W2896082165 cites W2141074519 @default.
• W2896082165 cites W2150697053 @default.
• W2896082165 cites W2262916439 @default.
• W2896082165 cites W2317136975 @default.
• W2896082165 cites W2317556584 @default.
• W2896082165 cites W2498411118 @default.
• W2896082165 cites W2790403277 @default.
• W2896082165 cites W2794058820 @default.
• W2896082165 cites W2805372235 @default.
• W2896082165 cites W2950493572 @default.
• W2896082165 cites W2951531011 @default.
• W2896082165 cites W3138635482 @default.
• W2896082165 cites W4233998925 @default.
• W2896082165 cites W630452196 @default.
• W2896082165 doi "https://doi.org/10.1246/bcsj.20180186" @default.
• W2896082165 hasPublicationYear "2019" @default.
• W2896082165 type Work @default.
• W2896082165 sameAs 2896082165 @default.
• W2896082165 citedByCount "4" @default.
• W2896082165 countsByYear W28960821652020 @default.
• W2896082165 countsByYear W28960821652023 @default.
• W2896082165 crossrefType "journal-article" @default.
• W2896082165 hasAuthorship W2896082165A5061686413 @default.
• W2896082165 hasAuthorship W2896082165A5062721947 @default.
• W2896082165 hasAuthorship W2896082165A5085842239 @default.
• W2896082165 hasConcept C112887158 @default.
• W2896082165 hasConcept C147597530 @default.
• W2896082165 hasConcept C178790620 @default.
• W2896082165 hasConcept C185592680 @default.
• W2896082165 hasConcept C2776673659 @default.
• W2896082165 hasConcept C2776712067 @default.
• W2896082165 hasConcept C2776730177 @default.
• W2896082165 hasConcept C2779546866 @default.
• W2896082165 hasConcept C2781253882 @default.
• W2896082165 hasConcept C32909587 @default.
• W2896082165 hasConcept C71240020 @default.
• W2896082165 hasConcept C75079739 @default.
• W2896082165 hasConceptScore W2896082165C112887158 @default.
• W2896082165 hasConceptScore W2896082165C147597530 @default.
• W2896082165 hasConceptScore W2896082165C178790620 @default.
• W2896082165 hasConceptScore W2896082165C185592680 @default.
• W2896082165 hasConceptScore W2896082165C2776673659 @default.
• W2896082165 hasConceptScore W2896082165C2776712067 @default.
• W2896082165 hasConceptScore W2896082165C2776730177 @default.
• W2896082165 hasConceptScore W2896082165C2779546866 @default.
• W2896082165 hasConceptScore W2896082165C2781253882 @default.
• W2896082165 hasConceptScore W2896082165C32909587 @default.
• W2896082165 hasConceptScore W2896082165C71240020 @default.
• W2896082165 hasConceptScore W2896082165C75079739 @default.
• W2896082165 hasIssue "1" @default.
• W2896082165 hasLocation W28960821651 @default.
• W2896082165 hasOpenAccess W2896082165 @default.
• W2896082165 hasPrimaryLocation W28960821651 @default.

• next