FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1997261223> ?p ?o ?g. }

• W1997261223 endingPage "29" @default.
• W1997261223 startingPage "20" @default.
• W1997261223 abstract "Molecular dynamics simulations of liquid ethylene glycol described by the OPLS-AA force field were performed to gain insight into its hydrogen-bond structure. We use the population correlation function as a statistical measure for the hydrogen-bond lifetime. In an attempt to understand the complicated hydrogen-bonding, we developed new molecular visualization tools within the Vish Visualization shell and used it to visualize the life of each individual hydrogen-bond. With this tool hydrogen-bond formation and breaking as well as clustering and chain formation in hydrogen-bonded liquids can be observed directly. Liquid ethylene glycol at room temperature does not show significant clustering or chain building. The hydrogen-bonds break often due to the rotational and vibrational motions of the molecules leading to an H-bond half-life time of approximately 1.5 ps. However, most of the H-bonds are reformed again so that after 50 ps only 40% of these H-bonds are irreversibly broken due to diffusional motion. This hydrogen-bond half-life time due to diffusional motion is 80.3 ps. The work was preceded by a careful check of various OPLS-based force fields used in the literature. It was found that they lead to quite different angular and H-bond distributions." @default.
• W1997261223 created "2016-06-24" @default.
• W1997261223 creator A5004164970 @default.
• W1997261223 creator A5031619277 @default.
• W1997261223 creator A5041691398 @default.
• W1997261223 creator A5048021913 @default.
• W1997261223 creator A5049370878 @default.
• W1997261223 creator A5054314843 @default.
• W1997261223 creator A5054631944 @default.
• W1997261223 creator A5059110219 @default.
• W1997261223 creator A5066350135 @default.
• W1997261223 date "2014-01-01" @default.
• W1997261223 modified "2023-10-16" @default.
• W1997261223 title "Ethylene glycol revisited: Molecular dynamics simulations and visualization of the liquid and its hydrogen-bond network" @default.
• W1997261223 cites W1534826561 @default.
• W1997261223 cites W1966108258 @default.
• W1997261223 cites W1968334774 @default.
• W1997261223 cites W1971586330 @default.
• W1997261223 cites W1983328554 @default.
• W1997261223 cites W1984966168 @default.
• W1997261223 cites W1991320205 @default.
• W1997261223 cites W2012907468 @default.
• W1997261223 cites W2019091969 @default.
• W1997261223 cites W2022231452 @default.
• W1997261223 cites W2024891605 @default.
• W1997261223 cites W2026718927 @default.
• W1997261223 cites W2027249214 @default.
• W1997261223 cites W2030362093 @default.
• W1997261223 cites W2034934946 @default.
• W1997261223 cites W2035266068 @default.
• W1997261223 cites W2045073088 @default.
• W1997261223 cites W2045252455 @default.
• W1997261223 cites W2055230590 @default.
• W1997261223 cites W2063187261 @default.
• W1997261223 cites W2068174159 @default.
• W1997261223 cites W2069549420 @default.
• W1997261223 cites W2074538572 @default.
• W1997261223 cites W2076381384 @default.
• W1997261223 cites W2077538780 @default.
• W1997261223 cites W2082018233 @default.
• W1997261223 cites W2083445589 @default.
• W1997261223 cites W2086295275 @default.
• W1997261223 cites W2125090241 @default.
• W1997261223 cites W2139531945 @default.
• W1997261223 cites W2322326557 @default.
• W1997261223 doi "https://doi.org/10.1016/j.molliq.2013.05.033" @default.
• W1997261223 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3990454" @default.
• W1997261223 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24748697" @default.
• W1997261223 hasPublicationYear "2014" @default.
• W1997261223 type Work @default.
• W1997261223 sameAs 1997261223 @default.
• W1997261223 citedByCount "55" @default.
• W1997261223 countsByYear W19972612232014 @default.
• W1997261223 countsByYear W19972612232015 @default.
• W1997261223 countsByYear W19972612232016 @default.
• W1997261223 countsByYear W19972612232017 @default.
• W1997261223 countsByYear W19972612232018 @default.
• W1997261223 countsByYear W19972612232019 @default.
• W1997261223 countsByYear W19972612232020 @default.
• W1997261223 countsByYear W19972612232021 @default.
• W1997261223 countsByYear W19972612232022 @default.
• W1997261223 countsByYear W19972612232023 @default.
• W1997261223 crossrefType "journal-article" @default.
• W1997261223 hasAuthorship W1997261223A5004164970 @default.
• W1997261223 hasAuthorship W1997261223A5031619277 @default.
• W1997261223 hasAuthorship W1997261223A5041691398 @default.
• W1997261223 hasAuthorship W1997261223A5048021913 @default.
• W1997261223 hasAuthorship W1997261223A5049370878 @default.
• W1997261223 hasAuthorship W1997261223A5054314843 @default.
• W1997261223 hasAuthorship W1997261223A5054631944 @default.
• W1997261223 hasAuthorship W1997261223A5059110219 @default.
• W1997261223 hasAuthorship W1997261223A5066350135 @default.
• W1997261223 hasBestOaLocation W19972612231 @default.
• W1997261223 hasConcept C10803110 @default.
• W1997261223 hasConcept C112887158 @default.
• W1997261223 hasConcept C121332964 @default.
• W1997261223 hasConcept C147597530 @default.
• W1997261223 hasConcept C147789679 @default.
• W1997261223 hasConcept C159467904 @default.
• W1997261223 hasConcept C178790620 @default.
• W1997261223 hasConcept C185592680 @default.
• W1997261223 hasConcept C2777516009 @default.
• W1997261223 hasConcept C32909587 @default.
• W1997261223 hasConcept C38660458 @default.
• W1997261223 hasConcept C512968161 @default.
• W1997261223 hasConcept C59593255 @default.
• W1997261223 hasConcept C62520636 @default.
• W1997261223 hasConceptScore W1997261223C10803110 @default.
• W1997261223 hasConceptScore W1997261223C112887158 @default.
• W1997261223 hasConceptScore W1997261223C121332964 @default.
• W1997261223 hasConceptScore W1997261223C147597530 @default.
• W1997261223 hasConceptScore W1997261223C147789679 @default.
• W1997261223 hasConceptScore W1997261223C159467904 @default.
• W1997261223 hasConceptScore W1997261223C178790620 @default.
• W1997261223 hasConceptScore W1997261223C185592680 @default.
• W1997261223 hasConceptScore W1997261223C2777516009 @default.
• W1997261223 hasConceptScore W1997261223C32909587 @default.
• W1997261223 hasConceptScore W1997261223C38660458 @default.

• next