Matches in SemOpenAlex for { <https://semopenalex.org/work/W2040988845> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2040988845 endingPage "12720" @default.
- W2040988845 startingPage "12714" @default.
- W2040988845 abstract "A new partitioning scheme for the total energy of molecules is presented. In the scheme, the Hartree-Fock total energy of a molecular system is represented as the sum of one- and two-center terms exactly. The present method provides physically reasonable behavior for a wide range of interactions, and intermolecular interaction is treated equivalently with intramolecular interaction. The method is applied to analysis on the inter- and intramolecular interactions of molecular complexes both in gas phase and in aqueous solution. The results strongly indicate that the present method is a powerful tool to understand not only the bonding nature of molecules but also interaction between molecules." @default.
- W2040988845 created "2016-06-24" @default.
- W2040988845 creator A5003405142 @default.
- W2040988845 creator A5064310115 @default.
- W2040988845 date "2006-06-01" @default.
- W2040988845 modified "2023-10-10" @default.
- W2040988845 title "Analysis on Solvated Molecules with a New Energy Partitioning Scheme for Intra- and Intermolecular Interactions" @default.
- W2040988845 cites W1976499671 @default.
- W2040988845 cites W1994055814 @default.
- W2040988845 cites W1994902309 @default.
- W2040988845 cites W1996451110 @default.
- W2040988845 cites W1998958018 @default.
- W2040988845 cites W1999786788 @default.
- W2040988845 cites W2000485464 @default.
- W2040988845 cites W2000872531 @default.
- W2040988845 cites W2005826202 @default.
- W2040988845 cites W2013429883 @default.
- W2040988845 cites W2015693821 @default.
- W2040988845 cites W2022950330 @default.
- W2040988845 cites W2027473281 @default.
- W2040988845 cites W2033990154 @default.
- W2040988845 cites W2034949273 @default.
- W2040988845 cites W2047471600 @default.
- W2040988845 cites W2049364454 @default.
- W2040988845 cites W2050593767 @default.
- W2040988845 cites W2074700758 @default.
- W2040988845 cites W2079749812 @default.
- W2040988845 cites W2084148380 @default.
- W2040988845 cites W2094642658 @default.
- W2040988845 cites W2312895420 @default.
- W2040988845 cites W2319525401 @default.
- W2040988845 cites W4252598364 @default.
- W2040988845 doi "https://doi.org/10.1021/jp061017s" @default.
- W2040988845 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16800606" @default.
- W2040988845 hasPublicationYear "2006" @default.
- W2040988845 type Work @default.
- W2040988845 sameAs 2040988845 @default.
- W2040988845 citedByCount "16" @default.
- W2040988845 countsByYear W20409888452013 @default.
- W2040988845 countsByYear W20409888452019 @default.
- W2040988845 crossrefType "journal-article" @default.
- W2040988845 hasAuthorship W2040988845A5003405142 @default.
- W2040988845 hasAuthorship W2040988845A5064310115 @default.
- W2040988845 hasConcept C134306372 @default.
- W2040988845 hasConcept C147597530 @default.
- W2040988845 hasConcept C159467904 @default.
- W2040988845 hasConcept C159985019 @default.
- W2040988845 hasConcept C166950319 @default.
- W2040988845 hasConcept C178790620 @default.
- W2040988845 hasConcept C185592680 @default.
- W2040988845 hasConcept C192562407 @default.
- W2040988845 hasConcept C204323151 @default.
- W2040988845 hasConcept C22499117 @default.
- W2040988845 hasConcept C3020346381 @default.
- W2040988845 hasConcept C32909587 @default.
- W2040988845 hasConcept C33923547 @default.
- W2040988845 hasConcept C71240020 @default.
- W2040988845 hasConcept C75079739 @default.
- W2040988845 hasConcept C77618280 @default.
- W2040988845 hasConceptScore W2040988845C134306372 @default.
- W2040988845 hasConceptScore W2040988845C147597530 @default.
- W2040988845 hasConceptScore W2040988845C159467904 @default.
- W2040988845 hasConceptScore W2040988845C159985019 @default.
- W2040988845 hasConceptScore W2040988845C166950319 @default.
- W2040988845 hasConceptScore W2040988845C178790620 @default.
- W2040988845 hasConceptScore W2040988845C185592680 @default.
- W2040988845 hasConceptScore W2040988845C192562407 @default.
- W2040988845 hasConceptScore W2040988845C204323151 @default.
- W2040988845 hasConceptScore W2040988845C22499117 @default.
- W2040988845 hasConceptScore W2040988845C3020346381 @default.
- W2040988845 hasConceptScore W2040988845C32909587 @default.
- W2040988845 hasConceptScore W2040988845C33923547 @default.
- W2040988845 hasConceptScore W2040988845C71240020 @default.
- W2040988845 hasConceptScore W2040988845C75079739 @default.
- W2040988845 hasConceptScore W2040988845C77618280 @default.
- W2040988845 hasIssue "25" @default.
- W2040988845 hasLocation W20409888451 @default.
- W2040988845 hasLocation W20409888452 @default.
- W2040988845 hasOpenAccess W2040988845 @default.
- W2040988845 hasPrimaryLocation W20409888451 @default.
- W2040988845 hasRelatedWork W1606663964 @default.
- W2040988845 hasRelatedWork W2002573755 @default.
- W2040988845 hasRelatedWork W2006004926 @default.
- W2040988845 hasRelatedWork W2014749179 @default.
- W2040988845 hasRelatedWork W2035074747 @default.
- W2040988845 hasRelatedWork W2049231603 @default.
- W2040988845 hasRelatedWork W2375513301 @default.
- W2040988845 hasRelatedWork W3213782026 @default.
- W2040988845 hasRelatedWork W4361987403 @default.
- W2040988845 hasRelatedWork W781020412 @default.
- W2040988845 hasVolume "110" @default.
- W2040988845 isParatext "false" @default.
- W2040988845 isRetracted "false" @default.
- W2040988845 magId "2040988845" @default.
- W2040988845 workType "article" @default.