Matches in SemOpenAlex for { <https://semopenalex.org/work/W2486584997> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2486584997 endingPage "21" @default.
- W2486584997 startingPage "8" @default.
- W2486584997 abstract "Hydrogen-bonded complexes for a series of organic compounds with water have been investigated using a combined quantum mechanical and molecular mechanical potential. The performance of this hybrid QM/MM approach is verified via comparison with ab initio 6-31G(d) calculations and with the empirical OPLS optimizations. Good accord in the predicted interaction energies between these methods was obtained." @default.
- W2486584997 created "2016-08-23" @default.
- W2486584997 creator A5051728653 @default.
- W2486584997 date "1994-05-05" @default.
- W2486584997 modified "2023-09-23" @default.
- W2486584997 title "Computation of Intermolecular Interactions with a Combined Quantum Mechanical and Classical Approach" @default.
- W2486584997 doi "https://doi.org/10.1021/bk-1994-0569.ch002" @default.
- W2486584997 hasPublicationYear "1994" @default.
- W2486584997 type Work @default.
- W2486584997 sameAs 2486584997 @default.
- W2486584997 citedByCount "23" @default.
- W2486584997 countsByYear W24865849972012 @default.
- W2486584997 countsByYear W24865849972014 @default.
- W2486584997 countsByYear W24865849972016 @default.
- W2486584997 countsByYear W24865849972018 @default.
- W2486584997 countsByYear W24865849972022 @default.
- W2486584997 crossrefType "book-chapter" @default.
- W2486584997 hasAuthorship W2486584997A5051728653 @default.
- W2486584997 hasConcept C112887158 @default.
- W2486584997 hasConcept C11413529 @default.
- W2486584997 hasConcept C119049451 @default.
- W2486584997 hasConcept C121332964 @default.
- W2486584997 hasConcept C143724316 @default.
- W2486584997 hasConcept C147597530 @default.
- W2486584997 hasConcept C151730666 @default.
- W2486584997 hasConcept C159467904 @default.
- W2486584997 hasConcept C166950319 @default.
- W2486584997 hasConcept C183971685 @default.
- W2486584997 hasConcept C185592680 @default.
- W2486584997 hasConcept C192562407 @default.
- W2486584997 hasConcept C22994065 @default.
- W2486584997 hasConcept C2781442258 @default.
- W2486584997 hasConcept C2991951333 @default.
- W2486584997 hasConcept C2993084020 @default.
- W2486584997 hasConcept C32909587 @default.
- W2486584997 hasConcept C33923547 @default.
- W2486584997 hasConcept C38660458 @default.
- W2486584997 hasConcept C45374587 @default.
- W2486584997 hasConcept C512968161 @default.
- W2486584997 hasConcept C59593255 @default.
- W2486584997 hasConcept C62520636 @default.
- W2486584997 hasConcept C84114770 @default.
- W2486584997 hasConcept C86803240 @default.
- W2486584997 hasConcept C93275456 @default.
- W2486584997 hasConceptScore W2486584997C112887158 @default.
- W2486584997 hasConceptScore W2486584997C11413529 @default.
- W2486584997 hasConceptScore W2486584997C119049451 @default.
- W2486584997 hasConceptScore W2486584997C121332964 @default.
- W2486584997 hasConceptScore W2486584997C143724316 @default.
- W2486584997 hasConceptScore W2486584997C147597530 @default.
- W2486584997 hasConceptScore W2486584997C151730666 @default.
- W2486584997 hasConceptScore W2486584997C159467904 @default.
- W2486584997 hasConceptScore W2486584997C166950319 @default.
- W2486584997 hasConceptScore W2486584997C183971685 @default.
- W2486584997 hasConceptScore W2486584997C185592680 @default.
- W2486584997 hasConceptScore W2486584997C192562407 @default.
- W2486584997 hasConceptScore W2486584997C22994065 @default.
- W2486584997 hasConceptScore W2486584997C2781442258 @default.
- W2486584997 hasConceptScore W2486584997C2991951333 @default.
- W2486584997 hasConceptScore W2486584997C2993084020 @default.
- W2486584997 hasConceptScore W2486584997C32909587 @default.
- W2486584997 hasConceptScore W2486584997C33923547 @default.
- W2486584997 hasConceptScore W2486584997C38660458 @default.
- W2486584997 hasConceptScore W2486584997C45374587 @default.
- W2486584997 hasConceptScore W2486584997C512968161 @default.
- W2486584997 hasConceptScore W2486584997C59593255 @default.
- W2486584997 hasConceptScore W2486584997C62520636 @default.
- W2486584997 hasConceptScore W2486584997C84114770 @default.
- W2486584997 hasConceptScore W2486584997C86803240 @default.
- W2486584997 hasConceptScore W2486584997C93275456 @default.
- W2486584997 hasLocation W24865849971 @default.
- W2486584997 hasOpenAccess W2486584997 @default.
- W2486584997 hasPrimaryLocation W24865849971 @default.
- W2486584997 hasRelatedWork W1965864653 @default.
- W2486584997 hasRelatedWork W1978168759 @default.
- W2486584997 hasRelatedWork W2028394910 @default.
- W2486584997 hasRelatedWork W2034459715 @default.
- W2486584997 hasRelatedWork W2038298129 @default.
- W2486584997 hasRelatedWork W2053800933 @default.
- W2486584997 hasRelatedWork W2127936065 @default.
- W2486584997 hasRelatedWork W2135330829 @default.
- W2486584997 hasRelatedWork W2374466131 @default.
- W2486584997 hasRelatedWork W2486584997 @default.
- W2486584997 isParatext "false" @default.
- W2486584997 isRetracted "false" @default.
- W2486584997 magId "2486584997" @default.
- W2486584997 workType "book-chapter" @default.