Matches in SemOpenAlex for { <https://semopenalex.org/work/W1972097712> ?p ?o ?g. }
- W1972097712 endingPage "134" @default.
- W1972097712 startingPage "115" @default.
- W1972097712 abstract "From the standpoint of models that use a polarizable continuum to represent the solvent in studying the phenomenon of solvation, a systematic and detailed analysis is made of the influence of the cavity size and shape on calculated energies. The solute is represented by its ab initio wavefunction, and the electronic part of the solvation energy is calculated including terms that take into account electron correlation up to third order. The analysis shows the convenience of modeling the cavity according to considerations of homogeneity, which are based fundamentally on how the solute wavefunction is constructed, i.e., the basis set used." @default.
- W1972097712 created "2016-06-24" @default.
- W1972097712 creator A5024055529 @default.
- W1972097712 creator A5089532467 @default.
- W1972097712 date "1992-03-01" @default.
- W1972097712 modified "2023-10-17" @default.
- W1972097712 title "Correlation and solvation effects. IV. A systematic analysis of the influence of cavity size and shape on solvation properties in the polarizable continuum model with electron correlation" @default.
- W1972097712 cites W1503198759 @default.
- W1972097712 cites W1537958704 @default.
- W1972097712 cites W1965014667 @default.
- W1972097712 cites W1966293154 @default.
- W1972097712 cites W1969020102 @default.
- W1972097712 cites W1973229791 @default.
- W1972097712 cites W1977309740 @default.
- W1972097712 cites W1977348753 @default.
- W1972097712 cites W1994375198 @default.
- W1972097712 cites W1996394585 @default.
- W1972097712 cites W2000681915 @default.
- W1972097712 cites W2004115238 @default.
- W1972097712 cites W2004686442 @default.
- W1972097712 cites W2004869781 @default.
- W1972097712 cites W2007279618 @default.
- W1972097712 cites W2007993603 @default.
- W1972097712 cites W2009961424 @default.
- W1972097712 cites W2017536239 @default.
- W1972097712 cites W2028645548 @default.
- W1972097712 cites W2030635968 @default.
- W1972097712 cites W2031200077 @default.
- W1972097712 cites W2034250245 @default.
- W1972097712 cites W2039460908 @default.
- W1972097712 cites W2040315035 @default.
- W1972097712 cites W2040460890 @default.
- W1972097712 cites W2042823128 @default.
- W1972097712 cites W2044940178 @default.
- W1972097712 cites W2046599934 @default.
- W1972097712 cites W2047037550 @default.
- W1972097712 cites W2048692435 @default.
- W1972097712 cites W2049355906 @default.
- W1972097712 cites W2067299256 @default.
- W1972097712 cites W2075186406 @default.
- W1972097712 cites W2076656489 @default.
- W1972097712 cites W2077430539 @default.
- W1972097712 cites W2080219460 @default.
- W1972097712 cites W2082210782 @default.
- W1972097712 cites W2085274894 @default.
- W1972097712 cites W2091466501 @default.
- W1972097712 cites W2093055534 @default.
- W1972097712 cites W2093490190 @default.
- W1972097712 cites W2094760170 @default.
- W1972097712 cites W2095474273 @default.
- W1972097712 cites W2097554855 @default.
- W1972097712 cites W2119622331 @default.
- W1972097712 cites W2149191574 @default.
- W1972097712 cites W2149469850 @default.
- W1972097712 cites W2158187378 @default.
- W1972097712 cites W2160907854 @default.
- W1972097712 cites W2164168511 @default.
- W1972097712 cites W2326203395 @default.
- W1972097712 cites W2621254020 @default.
- W1972097712 cites W2623784809 @default.
- W1972097712 cites W27727037 @default.
- W1972097712 cites W3005081750 @default.
- W1972097712 cites W2038656362 @default.
- W1972097712 doi "https://doi.org/10.1002/jcc.540130202" @default.
- W1972097712 hasPublicationYear "1992" @default.
- W1972097712 type Work @default.
- W1972097712 sameAs 1972097712 @default.
- W1972097712 citedByCount "25" @default.
- W1972097712 countsByYear W19720977122014 @default.
- W1972097712 crossrefType "journal-article" @default.
- W1972097712 hasAuthorship W1972097712A5024055529 @default.
- W1972097712 hasAuthorship W1972097712A5089532467 @default.
- W1972097712 hasConcept C113603373 @default.
- W1972097712 hasConcept C121332964 @default.
- W1972097712 hasConcept C121864883 @default.
- W1972097712 hasConcept C139287275 @default.
- W1972097712 hasConcept C147120987 @default.
- W1972097712 hasConcept C147597530 @default.
- W1972097712 hasConcept C148093993 @default.
- W1972097712 hasConcept C152365726 @default.
- W1972097712 hasConcept C184779094 @default.
- W1972097712 hasConcept C185592680 @default.
- W1972097712 hasConcept C2776122248 @default.
- W1972097712 hasConcept C2781442258 @default.
- W1972097712 hasConcept C32909587 @default.
- W1972097712 hasConcept C35052450 @default.
- W1972097712 hasConcept C41999313 @default.
- W1972097712 hasConcept C62520636 @default.
- W1972097712 hasConcept C65956243 @default.
- W1972097712 hasConceptScore W1972097712C113603373 @default.
- W1972097712 hasConceptScore W1972097712C121332964 @default.
- W1972097712 hasConceptScore W1972097712C121864883 @default.
- W1972097712 hasConceptScore W1972097712C139287275 @default.
- W1972097712 hasConceptScore W1972097712C147120987 @default.
- W1972097712 hasConceptScore W1972097712C147597530 @default.
- W1972097712 hasConceptScore W1972097712C148093993 @default.
- W1972097712 hasConceptScore W1972097712C152365726 @default.
- W1972097712 hasConceptScore W1972097712C184779094 @default.