FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011014998> ?p ?o ?g. }

• W2011014998 endingPage "9853" @default.
• W2011014998 startingPage "9848" @default.
• W2011014998 abstract "The structure and dynamics of hydration of ammonia/ammonium and methylamine/methylammonium systems have been studied by Car-Parrinello molecular dynamics simulation. While methylamine interacts weakly with the aqueous environment, the interaction of ammonia is found to be much stronger than expected. Both protonated species show a highly structured first solvation sphere. The solvent exchange mechanisms for all species were also investigated, along with the geometry of the hydration spheres. Comparison of these exchange mechanisms with that published for the ammonium ion shows only a minor difference. Analysis of the respective distribution functions has allowed insight into the thermodynamics of solvation for both systems. The calculated pKa values (9.23/10.65) correspond very closely with the published experimental values of 9.25 and 10.65." @default.
• W2011014998 created "2016-06-24" @default.
• W2011014998 creator A5014714507 @default.
• W2011014998 creator A5052391844 @default.
• W2011014998 date "2007-09-06" @default.
• W2011014998 modified "2023-10-18" @default.
• W2011014998 title "Hydration Behavior of Alkyl Amines and Their Corresponding Protonated Forms. 1. Ammonia and Methylamine" @default.
• W2011014998 cites W1969323109 @default.
• W2011014998 cites W1975834451 @default.
• W2011014998 cites W1977279342 @default.
• W2011014998 cites W1978544368 @default.
• W2011014998 cites W1990251816 @default.
• W2011014998 cites W1992378478 @default.
• W2011014998 cites W1994055814 @default.
• W2011014998 cites W1994713561 @default.
• W2011014998 cites W1998829408 @default.
• W2011014998 cites W2025928164 @default.
• W2011014998 cites W2026838155 @default.
• W2011014998 cites W2029534660 @default.
• W2011014998 cites W2029667189 @default.
• W2011014998 cites W2030795020 @default.
• W2011014998 cites W2033302151 @default.
• W2011014998 cites W2033937456 @default.
• W2011014998 cites W2043668344 @default.
• W2011014998 cites W2044311570 @default.
• W2011014998 cites W2056661808 @default.
• W2011014998 cites W2058834481 @default.
• W2011014998 cites W2070917402 @default.
• W2011014998 cites W2075414432 @default.
• W2011014998 cites W2077090702 @default.
• W2011014998 cites W2086957099 @default.
• W2011014998 cites W2093021165 @default.
• W2011014998 cites W2132304858 @default.
• W2011014998 cites W2133754771 @default.
• W2011014998 cites W2330384441 @default.
• W2011014998 doi "https://doi.org/10.1021/jp073154a" @default.
• W2011014998 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17803287" @default.
• W2011014998 hasPublicationYear "2007" @default.
• W2011014998 type Work @default.
• W2011014998 sameAs 2011014998 @default.
• W2011014998 citedByCount "23" @default.
• W2011014998 countsByYear W20110149982012 @default.
• W2011014998 countsByYear W20110149982013 @default.
• W2011014998 countsByYear W20110149982014 @default.
• W2011014998 countsByYear W20110149982015 @default.
• W2011014998 countsByYear W20110149982016 @default.
• W2011014998 countsByYear W20110149982017 @default.
• W2011014998 countsByYear W20110149982020 @default.
• W2011014998 countsByYear W20110149982021 @default.
• W2011014998 countsByYear W20110149982023 @default.
• W2011014998 crossrefType "journal-article" @default.
• W2011014998 hasAuthorship W2011014998A5014714507 @default.
• W2011014998 hasAuthorship W2011014998A5052391844 @default.
• W2011014998 hasConcept C145148216 @default.
• W2011014998 hasConcept C147597530 @default.
• W2011014998 hasConcept C147789679 @default.
• W2011014998 hasConcept C148093993 @default.
• W2011014998 hasConcept C159467904 @default.
• W2011014998 hasConcept C178790620 @default.
• W2011014998 hasConcept C184651966 @default.
• W2011014998 hasConcept C185592680 @default.
• W2011014998 hasConcept C2776382133 @default.
• W2011014998 hasConcept C2778969155 @default.
• W2011014998 hasConcept C2779870022 @default.
• W2011014998 hasConcept C2780263894 @default.
• W2011014998 hasConcept C2780471494 @default.
• W2011014998 hasConcept C30095370 @default.
• W2011014998 hasConcept C59593255 @default.
• W2011014998 hasConceptScore W2011014998C145148216 @default.
• W2011014998 hasConceptScore W2011014998C147597530 @default.
• W2011014998 hasConceptScore W2011014998C147789679 @default.
• W2011014998 hasConceptScore W2011014998C148093993 @default.
• W2011014998 hasConceptScore W2011014998C159467904 @default.
• W2011014998 hasConceptScore W2011014998C178790620 @default.
• W2011014998 hasConceptScore W2011014998C184651966 @default.
• W2011014998 hasConceptScore W2011014998C185592680 @default.
• W2011014998 hasConceptScore W2011014998C2776382133 @default.
• W2011014998 hasConceptScore W2011014998C2778969155 @default.
• W2011014998 hasConceptScore W2011014998C2779870022 @default.
• W2011014998 hasConceptScore W2011014998C2780263894 @default.
• W2011014998 hasConceptScore W2011014998C2780471494 @default.
• W2011014998 hasConceptScore W2011014998C30095370 @default.
• W2011014998 hasConceptScore W2011014998C59593255 @default.
• W2011014998 hasIssue "39" @default.
• W2011014998 hasLocation W20110149981 @default.
• W2011014998 hasLocation W20110149982 @default.
• W2011014998 hasOpenAccess W2011014998 @default.
• W2011014998 hasPrimaryLocation W20110149981 @default.
• W2011014998 hasRelatedWork W1976978616 @default.
• W2011014998 hasRelatedWork W2011014998 @default.
• W2011014998 hasRelatedWork W2014853582 @default.
• W2011014998 hasRelatedWork W2046090155 @default.
• W2011014998 hasRelatedWork W2049601662 @default.
• W2011014998 hasRelatedWork W2061834634 @default.
• W2011014998 hasRelatedWork W2075822979 @default.
• W2011014998 hasRelatedWork W2090395761 @default.
• W2011014998 hasRelatedWork W2557747266 @default.
• W2011014998 hasRelatedWork W2754007442 @default.

• next