FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2046114778> ?p ?o ?g. }

• W2046114778 endingPage "1506" @default.
• W2046114778 startingPage "1497" @default.
• W2046114778 abstract "We present here a model potential study of the microsolvation of alkali cations M+ (M = Na, K, Rb, Cs) in various solvents (water, methanol, dimethyl ether (DME)). The potential energy surfaces (PES) are explored with the Monte Carlo growth method (MCGM) to find the most significant equilibrium structures of M+−(solvent)n clusters (n = 2, 4). The structures as well as the binding energies are favorably compared to the best ab initio calculations found in the literature and to experimental results. This good agreement is only obtained if we take into account the anisotropy of the polarizability tensor for the solvent molecule. Under these conditions, the atomic parameters included in our model potential framework are found to be transferable from water to methanol and DME. An analysis of the different physical components of the interaction energy shows that the only important n-body term for the description of these systems is the polarization one." @default.
• W2046114778 created "2016-06-24" @default.
• W2046114778 creator A5004299950 @default.
• W2046114778 creator A5008068017 @default.
• W2046114778 creator A5026723943 @default.
• W2046114778 creator A5032774833 @default.
• W2046114778 creator A5038313367 @default.
• W2046114778 creator A5050897701 @default.
• W2046114778 creator A5063999813 @default.
• W2046114778 date "2003-12-31" @default.
• W2046114778 modified "2023-10-17" @default.
• W2046114778 title "Theoretical Investigation of Small Alkali Cation−Molecule Clusters: A Model Potential Approach" @default.
• W2046114778 cites W1966182479 @default.
• W2046114778 cites W1980748571 @default.
• W2046114778 cites W1983275421 @default.
• W2046114778 cites W1986076888 @default.
• W2046114778 cites W1995659170 @default.
• W2046114778 cites W1996798600 @default.
• W2046114778 cites W2005136695 @default.
• W2046114778 cites W2006719015 @default.
• W2046114778 cites W2007464378 @default.
• W2046114778 cites W2009735538 @default.
• W2046114778 cites W2013027612 @default.
• W2046114778 cites W2015161136 @default.
• W2046114778 cites W2028308934 @default.
• W2046114778 cites W2038210983 @default.
• W2046114778 cites W2039034840 @default.
• W2046114778 cites W2040113570 @default.
• W2046114778 cites W2040252185 @default.
• W2046114778 cites W2042652196 @default.
• W2046114778 cites W2054160223 @default.
• W2046114778 cites W2064299308 @default.
• W2046114778 cites W2078409719 @default.
• W2046114778 cites W2085082173 @default.
• W2046114778 cites W2091896053 @default.
• W2046114778 cites W2148941593 @default.
• W2046114778 cites W2167937069 @default.
• W2046114778 cites W2749619729 @default.
• W2046114778 cites W282728885 @default.
• W2046114778 cites W2950650597 @default.
• W2046114778 cites W2988498132 @default.
• W2046114778 cites W4236082734 @default.
• W2046114778 cites W4249204400 @default.
• W2046114778 doi "https://doi.org/10.1021/jp036075h" @default.
• W2046114778 hasPublicationYear "2003" @default.
• W2046114778 type Work @default.
• W2046114778 sameAs 2046114778 @default.
• W2046114778 citedByCount "9" @default.
• W2046114778 countsByYear W20461147782012 @default.
• W2046114778 crossrefType "journal-article" @default.
• W2046114778 hasAuthorship W2046114778A5004299950 @default.
• W2046114778 hasAuthorship W2046114778A5008068017 @default.
• W2046114778 hasAuthorship W2046114778A5026723943 @default.
• W2046114778 hasAuthorship W2046114778A5032774833 @default.
• W2046114778 hasAuthorship W2046114778A5038313367 @default.
• W2046114778 hasAuthorship W2046114778A5050897701 @default.
• W2046114778 hasAuthorship W2046114778A5063999813 @default.
• W2046114778 hasConcept C121332964 @default.
• W2046114778 hasConcept C139287275 @default.
• W2046114778 hasConcept C147597530 @default.
• W2046114778 hasConcept C159467904 @default.
• W2046114778 hasConcept C178790620 @default.
• W2046114778 hasConcept C183971685 @default.
• W2046114778 hasConcept C184779094 @default.
• W2046114778 hasConcept C185592680 @default.
• W2046114778 hasConcept C198091228 @default.
• W2046114778 hasConcept C2777692963 @default.
• W2046114778 hasConcept C2779300417 @default.
• W2046114778 hasConcept C2779607525 @default.
• W2046114778 hasConcept C2780471494 @default.
• W2046114778 hasConcept C2781442258 @default.
• W2046114778 hasConcept C32909587 @default.
• W2046114778 hasConcept C62520636 @default.
• W2046114778 hasConcept C84551667 @default.
• W2046114778 hasConcept C85725439 @default.
• W2046114778 hasConcept C93282013 @default.
• W2046114778 hasConcept C97355855 @default.
• W2046114778 hasConceptScore W2046114778C121332964 @default.
• W2046114778 hasConceptScore W2046114778C139287275 @default.
• W2046114778 hasConceptScore W2046114778C147597530 @default.
• W2046114778 hasConceptScore W2046114778C159467904 @default.
• W2046114778 hasConceptScore W2046114778C178790620 @default.
• W2046114778 hasConceptScore W2046114778C183971685 @default.
• W2046114778 hasConceptScore W2046114778C184779094 @default.
• W2046114778 hasConceptScore W2046114778C185592680 @default.
• W2046114778 hasConceptScore W2046114778C198091228 @default.
• W2046114778 hasConceptScore W2046114778C2777692963 @default.
• W2046114778 hasConceptScore W2046114778C2779300417 @default.
• W2046114778 hasConceptScore W2046114778C2779607525 @default.
• W2046114778 hasConceptScore W2046114778C2780471494 @default.
• W2046114778 hasConceptScore W2046114778C2781442258 @default.
• W2046114778 hasConceptScore W2046114778C32909587 @default.
• W2046114778 hasConceptScore W2046114778C62520636 @default.
• W2046114778 hasConceptScore W2046114778C84551667 @default.
• W2046114778 hasConceptScore W2046114778C85725439 @default.
• W2046114778 hasConceptScore W2046114778C93282013 @default.
• W2046114778 hasConceptScore W2046114778C97355855 @default.
• W2046114778 hasIssue "4" @default.

• next