Matches in SemOpenAlex for { <https://semopenalex.org/work/W2316294479> ?p ?o ?g. }
- W2316294479 endingPage "4247" @default.
- W2316294479 startingPage "4239" @default.
- W2316294479 abstract "Ab initio and density functional methods have been employed to study the structure, stability, and spectral properties of various ethylene glycol (EG(m)) and ethylene glycol-water (EG(m)W(n)) (m = 1-3, n = 1-4) clusters. The effective fragment potential (EFP) approach was used to explore various possible EG(m)W(n) clusters. Calculated interaction energies of EG(m)W(n) clusters confirm that the hydrogen-bonding interaction between EG molecules is perturbed by the presence of water molecules and vice versa. Further, energy decomposition analysis shows that both electrostatic and polarization interactions predominantly contribute to the stability of these clusters. It was found from the same analysis that ethylene glycol-water interaction is predominant over the ethylene glycol-ethylene glycol and water-water interactions. Overall, the results clearly illustrate that the presence of water disrupts the ethylene glycol-ethylene glycol hydrogen bonds." @default.
- W2316294479 created "2016-06-24" @default.
- W2316294479 creator A5003177116 @default.
- W2316294479 creator A5006070865 @default.
- W2316294479 creator A5021109231 @default.
- W2316294479 creator A5064261512 @default.
- W2316294479 creator A5078167731 @default.
- W2316294479 date "2012-04-24" @default.
- W2316294479 modified "2023-10-06" @default.
- W2316294479 title "On the Perturbation of the H-Bonding Interaction in Ethylene Glycol Clusters upon Hydration" @default.
- W2316294479 cites W1695379209 @default.
- W2316294479 cites W1965573363 @default.
- W2316294479 cites W1969992027 @default.
- W2316294479 cites W1977812270 @default.
- W2316294479 cites W1979860092 @default.
- W2316294479 cites W1989667766 @default.
- W2316294479 cites W1990630816 @default.
- W2316294479 cites W1997880659 @default.
- W2316294479 cites W1999864375 @default.
- W2316294479 cites W2002832239 @default.
- W2316294479 cites W2005416136 @default.
- W2316294479 cites W2011668244 @default.
- W2316294479 cites W2012923332 @default.
- W2316294479 cites W2013218058 @default.
- W2316294479 cites W2014360307 @default.
- W2316294479 cites W2015205183 @default.
- W2316294479 cites W2015645091 @default.
- W2316294479 cites W2016662070 @default.
- W2316294479 cites W2022950330 @default.
- W2316294479 cites W2027751798 @default.
- W2316294479 cites W2035944742 @default.
- W2316294479 cites W2039346309 @default.
- W2316294479 cites W2040698062 @default.
- W2316294479 cites W2041629847 @default.
- W2316294479 cites W2050584428 @default.
- W2316294479 cites W2054560780 @default.
- W2316294479 cites W2054834960 @default.
- W2316294479 cites W2055975993 @default.
- W2316294479 cites W2059839951 @default.
- W2316294479 cites W2069549420 @default.
- W2316294479 cites W2069754717 @default.
- W2316294479 cites W2070252908 @default.
- W2316294479 cites W2076772212 @default.
- W2316294479 cites W2076928095 @default.
- W2316294479 cites W2087001254 @default.
- W2316294479 cites W2092788941 @default.
- W2316294479 cites W2093369749 @default.
- W2316294479 cites W2125090241 @default.
- W2316294479 cites W2130918438 @default.
- W2316294479 cites W2140695982 @default.
- W2316294479 cites W2143981217 @default.
- W2316294479 cites W2144754539 @default.
- W2316294479 cites W2148941593 @default.
- W2316294479 cites W2150697053 @default.
- W2316294479 cites W2151916912 @default.
- W2316294479 cites W2157644664 @default.
- W2316294479 cites W2296155050 @default.
- W2316294479 cites W2313574722 @default.
- W2316294479 cites W2330913109 @default.
- W2316294479 cites W2768072658 @default.
- W2316294479 doi "https://doi.org/10.1021/jp300693r" @default.
- W2316294479 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22530594" @default.
- W2316294479 hasPublicationYear "2012" @default.
- W2316294479 type Work @default.
- W2316294479 sameAs 2316294479 @default.
- W2316294479 citedByCount "75" @default.
- W2316294479 countsByYear W23162944792013 @default.
- W2316294479 countsByYear W23162944792014 @default.
- W2316294479 countsByYear W23162944792015 @default.
- W2316294479 countsByYear W23162944792016 @default.
- W2316294479 countsByYear W23162944792017 @default.
- W2316294479 countsByYear W23162944792018 @default.
- W2316294479 countsByYear W23162944792019 @default.
- W2316294479 countsByYear W23162944792020 @default.
- W2316294479 countsByYear W23162944792021 @default.
- W2316294479 countsByYear W23162944792022 @default.
- W2316294479 countsByYear W23162944792023 @default.
- W2316294479 crossrefType "journal-article" @default.
- W2316294479 hasAuthorship W2316294479A5003177116 @default.
- W2316294479 hasAuthorship W2316294479A5006070865 @default.
- W2316294479 hasAuthorship W2316294479A5021109231 @default.
- W2316294479 hasAuthorship W2316294479A5064261512 @default.
- W2316294479 hasAuthorship W2316294479A5078167731 @default.
- W2316294479 hasConcept C112887158 @default.
- W2316294479 hasConcept C147597530 @default.
- W2316294479 hasConcept C161790260 @default.
- W2316294479 hasConcept C178790620 @default.
- W2316294479 hasConcept C183971685 @default.
- W2316294479 hasConcept C185592680 @default.
- W2316294479 hasConcept C22499117 @default.
- W2316294479 hasConcept C2777516009 @default.
- W2316294479 hasConcept C2778597550 @default.
- W2316294479 hasConcept C2781442258 @default.
- W2316294479 hasConcept C32909587 @default.
- W2316294479 hasConceptScore W2316294479C112887158 @default.
- W2316294479 hasConceptScore W2316294479C147597530 @default.
- W2316294479 hasConceptScore W2316294479C161790260 @default.
- W2316294479 hasConceptScore W2316294479C178790620 @default.