Matches in SemOpenAlex for { <https://semopenalex.org/work/W800985364> ?p ?o ?g. }
Showing items 1 to 67 of
67
with 100 items per page.
- W800985364 abstract "Symmetry-adapted perturbation theory (SAPT) has been applied to compute the intermolecular potential energy surfaces and the interaction-induced electrical properties of weakly interacting complexes. Asymptotic (large R) expressions have been derived for the contributions to the collision-induced properties up to and including second order in the intermolecular potential. The computed interaction-induced polarizability for the helium diatom has been used in quantum-dynamical calculations of the binary collision-induced Raman spectra.A quantum-statistical expression has been derived for the second virialcoefficient of the dielectric Clausius-Mossotti function. Calculations of the second dielectric virial coefficient of helium gas at various temperatures have been reported. A SAPT potential has been applied in the calculation of bound state levels and the infrared spectrum for the 3He-CO and 4He-CO complexes. Similar calculations have been performed for the infrared spectrum of the Ne-C2H2 and Ne-C2HD complexes. A SAPT potential energy surface for the Ar-CH4 complex has been used in converged close-coupling calculations to generate state-to-state integral cross sections and total differential cross sections for rotational excitation of methane in collisions with argon. SAPT potentials have been applied to compute second virial coefficients (including first-order quantum corrections) for various atom-molecule complexes over a wide range of temperatures. State-to-state elastic and rotationally inelastic differential cross sections for He + C2H2 scattering have been obtained by means of converged close-coupling calculations. From these state-resolved data total differential cross sections and energy loss spectra have been determined. Pressure broadening coefficients and state-to-state rate constants for the rotational (de-)excitation of He-C2H2 have been obtained by means of converged close-coupling and coupled-states calculations. Ab initio SAPT potentials are found to yield observable properties that are in good agreement with the corresponding measured values." @default.
- W800985364 created "2016-06-24" @default.
- W800985364 creator A5055168069 @default.
- W800985364 date "1998-01-01" @default.
- W800985364 modified "2023-09-27" @default.
- W800985364 title "Quantum mechanical calculations on weakly interacting complexes" @default.
- W800985364 hasPublicationYear "1998" @default.
- W800985364 type Work @default.
- W800985364 sameAs 800985364 @default.
- W800985364 citedByCount "0" @default.
- W800985364 crossrefType "dissertation" @default.
- W800985364 hasAuthorship W800985364A5055168069 @default.
- W800985364 hasConcept C121332964 @default.
- W800985364 hasConcept C139287275 @default.
- W800985364 hasConcept C166950319 @default.
- W800985364 hasConcept C174256460 @default.
- W800985364 hasConcept C184779094 @default.
- W800985364 hasConcept C185592680 @default.
- W800985364 hasConcept C32909587 @default.
- W800985364 hasConcept C41999313 @default.
- W800985364 hasConcept C4839761 @default.
- W800985364 hasConcept C546029482 @default.
- W800985364 hasConcept C62520636 @default.
- W800985364 hasConcept C84114770 @default.
- W800985364 hasConcept C84551667 @default.
- W800985364 hasConcept C93218973 @default.
- W800985364 hasConceptScore W800985364C121332964 @default.
- W800985364 hasConceptScore W800985364C139287275 @default.
- W800985364 hasConceptScore W800985364C166950319 @default.
- W800985364 hasConceptScore W800985364C174256460 @default.
- W800985364 hasConceptScore W800985364C184779094 @default.
- W800985364 hasConceptScore W800985364C185592680 @default.
- W800985364 hasConceptScore W800985364C32909587 @default.
- W800985364 hasConceptScore W800985364C41999313 @default.
- W800985364 hasConceptScore W800985364C4839761 @default.
- W800985364 hasConceptScore W800985364C546029482 @default.
- W800985364 hasConceptScore W800985364C62520636 @default.
- W800985364 hasConceptScore W800985364C84114770 @default.
- W800985364 hasConceptScore W800985364C84551667 @default.
- W800985364 hasConceptScore W800985364C93218973 @default.
- W800985364 hasLocation W8009853641 @default.
- W800985364 hasOpenAccess W800985364 @default.
- W800985364 hasPrimaryLocation W8009853641 @default.
- W800985364 hasRelatedWork W1634968604 @default.
- W800985364 hasRelatedWork W1966935906 @default.
- W800985364 hasRelatedWork W1970754267 @default.
- W800985364 hasRelatedWork W1989750013 @default.
- W800985364 hasRelatedWork W1992316998 @default.
- W800985364 hasRelatedWork W2033428516 @default.
- W800985364 hasRelatedWork W2035603588 @default.
- W800985364 hasRelatedWork W2051998128 @default.
- W800985364 hasRelatedWork W2053640330 @default.
- W800985364 hasRelatedWork W2084598889 @default.
- W800985364 hasRelatedWork W2084685560 @default.
- W800985364 hasRelatedWork W2322902487 @default.
- W800985364 hasRelatedWork W2782922871 @default.
- W800985364 hasRelatedWork W2944553991 @default.
- W800985364 hasRelatedWork W2965976906 @default.
- W800985364 hasRelatedWork W3005810074 @default.
- W800985364 hasRelatedWork W3022048882 @default.
- W800985364 hasRelatedWork W3123246160 @default.
- W800985364 hasRelatedWork W3805584 @default.
- W800985364 hasRelatedWork W809307625 @default.
- W800985364 isParatext "false" @default.
- W800985364 isRetracted "false" @default.
- W800985364 magId "800985364" @default.
- W800985364 workType "dissertation" @default.