Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079669133> ?p ?o ?g. }
- W2079669133 endingPage "456" @default.
- W2079669133 startingPage "439" @default.
- W2079669133 abstract "An attempt has been made in this work to compute intermolecular potentials for molecular clusters possessing hydrogen bonds, using the test-particle model (T-model). The T-model potentials for small molecules such as HCN, HF, H2O and NH3 are constructed and tested in the geometry optimization of dimers and some oligomers formed from these molecules. The results are in good agreement with those obtained from experiments and other theoretical methods. In order to extend the model to biologically active molecules, the interaction potentials for HCONH2, HCONHCH3, guanine and cytosine are calculated. From the computed potentials the hydration patterus are investigated and represented by the isoenergy contour maps. The transferability of the T-model parameters, especially for repulsion, is examined by using the parameters for HCONH2 and CH4 in HCONHCH3." @default.
- W2079669133 created "2016-06-24" @default.
- W2079669133 creator A5003080546 @default.
- W2079669133 creator A5013578948 @default.
- W2079669133 creator A5038043716 @default.
- W2079669133 creator A5040716394 @default.
- W2079669133 date "1991-10-01" @default.
- W2079669133 modified "2023-10-05" @default.
- W2079669133 title "Test-particle model potentials for hydrogen-bonded complexes: Complexes formed from HCN, HF, H2O, NH3, HCONH2, HCONHCH3, guanine and cytosine" @default.
- W2079669133 cites W1965004195 @default.
- W2079669133 cites W1968101981 @default.
- W2079669133 cites W1978586641 @default.
- W2079669133 cites W1979498907 @default.
- W2079669133 cites W1980212752 @default.
- W2079669133 cites W1982311377 @default.
- W2079669133 cites W1987861166 @default.
- W2079669133 cites W1994347372 @default.
- W2079669133 cites W1999022787 @default.
- W2079669133 cites W1999563132 @default.
- W2079669133 cites W2004787853 @default.
- W2079669133 cites W2005347185 @default.
- W2079669133 cites W2008740207 @default.
- W2079669133 cites W2019430546 @default.
- W2079669133 cites W2021235882 @default.
- W2079669133 cites W2023585673 @default.
- W2079669133 cites W2031026794 @default.
- W2079669133 cites W2031379255 @default.
- W2079669133 cites W2031966154 @default.
- W2079669133 cites W2041216560 @default.
- W2079669133 cites W2047874649 @default.
- W2079669133 cites W2048979255 @default.
- W2079669133 cites W2056113182 @default.
- W2079669133 cites W2061291218 @default.
- W2079669133 cites W2064761492 @default.
- W2079669133 cites W2065201621 @default.
- W2079669133 cites W2069144582 @default.
- W2079669133 cites W2073456443 @default.
- W2079669133 cites W2080353096 @default.
- W2079669133 cites W2082957301 @default.
- W2079669133 cites W2083024611 @default.
- W2079669133 cites W2083198493 @default.
- W2079669133 cites W2086598671 @default.
- W2079669133 cites W2087293349 @default.
- W2079669133 cites W2087677551 @default.
- W2079669133 cites W2093071967 @default.
- W2079669133 cites W2102926689 @default.
- W2079669133 cites W2113226662 @default.
- W2079669133 cites W2144402041 @default.
- W2079669133 cites W2148094417 @default.
- W2079669133 cites W2148941593 @default.
- W2079669133 cites W2165683169 @default.
- W2079669133 cites W2314724257 @default.
- W2079669133 doi "https://doi.org/10.1016/0301-0104(91)89012-y" @default.
- W2079669133 hasPublicationYear "1991" @default.
- W2079669133 type Work @default.
- W2079669133 sameAs 2079669133 @default.
- W2079669133 citedByCount "24" @default.
- W2079669133 countsByYear W20796691332014 @default.
- W2079669133 countsByYear W20796691332015 @default.
- W2079669133 countsByYear W20796691332016 @default.
- W2079669133 crossrefType "journal-article" @default.
- W2079669133 hasAuthorship W2079669133A5003080546 @default.
- W2079669133 hasAuthorship W2079669133A5013578948 @default.
- W2079669133 hasAuthorship W2079669133A5038043716 @default.
- W2079669133 hasAuthorship W2079669133A5040716394 @default.
- W2079669133 hasConcept C104317684 @default.
- W2079669133 hasConcept C105795698 @default.
- W2079669133 hasConcept C112887158 @default.
- W2079669133 hasConcept C121332964 @default.
- W2079669133 hasConcept C140331021 @default.
- W2079669133 hasConcept C147597530 @default.
- W2079669133 hasConcept C159467904 @default.
- W2079669133 hasConcept C166950319 @default.
- W2079669133 hasConcept C178790620 @default.
- W2079669133 hasConcept C178910836 @default.
- W2079669133 hasConcept C185592680 @default.
- W2079669133 hasConcept C18762648 @default.
- W2079669133 hasConcept C2776023528 @default.
- W2079669133 hasConcept C2778301229 @default.
- W2079669133 hasConcept C32909587 @default.
- W2079669133 hasConcept C33923547 @default.
- W2079669133 hasConcept C512185932 @default.
- W2079669133 hasConcept C512968161 @default.
- W2079669133 hasConcept C552990157 @default.
- W2079669133 hasConcept C55493867 @default.
- W2079669133 hasConcept C61272859 @default.
- W2079669133 hasConcept C71240020 @default.
- W2079669133 hasConcept C8010536 @default.
- W2079669133 hasConcept C97355855 @default.
- W2079669133 hasConceptScore W2079669133C104317684 @default.
- W2079669133 hasConceptScore W2079669133C105795698 @default.
- W2079669133 hasConceptScore W2079669133C112887158 @default.
- W2079669133 hasConceptScore W2079669133C121332964 @default.
- W2079669133 hasConceptScore W2079669133C140331021 @default.
- W2079669133 hasConceptScore W2079669133C147597530 @default.
- W2079669133 hasConceptScore W2079669133C159467904 @default.
- W2079669133 hasConceptScore W2079669133C166950319 @default.
- W2079669133 hasConceptScore W2079669133C178790620 @default.