Matches in SemOpenAlex for { <https://semopenalex.org/work/W2066622100> ?p ?o ?g. }
- W2066622100 endingPage "6301" @default.
- W2066622100 startingPage "6288" @default.
- W2066622100 abstract "Variational calculations of vibrational energies, rotational constants and angular expectation values are carried out for the trimers Ar2–HCl, Ar2–DCl, Ar2–HF and Ar2–DF. Calculations are performed on pairwise additive potential energy surfaces and on surfaces including a variety of non-additive contributions. Attention is focused on the bending levels corresponding to hindered internal rotation of the HX molecule in the complex, several of which have been observed by high-resolution spectroscopy. The results confirm that it is crucial to include dispersion, induction and short-range effects when modelling the non-additive forces in molecular systems. It is found that the model of non-additive forces previously proposed by Ernesti and Hutson [Phys. Rev. A 51, 239 (1995)] works well for the bending bands of Ar2–HCl, Ar2–DCl and Ar2–DF as well as Ar2–HF. In addition, a new distributed model of the non-additive dispersion energy is proposed, in which the triple-dipole energy is partitioned between two anisotropic sites in the HX molecule." @default.
- W2066622100 created "2016-06-24" @default.
- W2066622100 creator A5022695545 @default.
- W2066622100 creator A5076915232 @default.
- W2066622100 date "1997-04-15" @default.
- W2066622100 modified "2023-09-23" @default.
- W2066622100 title "Non-additive intermolecular forces from the spectroscopy of Van der Waals trimers: A comparison of Ar2–HF and Ar2–HCl, including H/D isotope effects" @default.
- W2066622100 cites W1608831173 @default.
- W2066622100 cites W1963588767 @default.
- W2066622100 cites W1965509686 @default.
- W2066622100 cites W1967586289 @default.
- W2066622100 cites W1970941076 @default.
- W2066622100 cites W1975919655 @default.
- W2066622100 cites W1980685171 @default.
- W2066622100 cites W1981049088 @default.
- W2066622100 cites W1984902374 @default.
- W2066622100 cites W1986873423 @default.
- W2066622100 cites W1988343421 @default.
- W2066622100 cites W1990308417 @default.
- W2066622100 cites W1991589541 @default.
- W2066622100 cites W1994769547 @default.
- W2066622100 cites W1995301412 @default.
- W2066622100 cites W2002027514 @default.
- W2066622100 cites W2007151594 @default.
- W2066622100 cites W2008847456 @default.
- W2066622100 cites W2013946006 @default.
- W2066622100 cites W2018846479 @default.
- W2066622100 cites W2020155327 @default.
- W2066622100 cites W2024231635 @default.
- W2066622100 cites W2030224855 @default.
- W2066622100 cites W2033206652 @default.
- W2066622100 cites W2038470008 @default.
- W2066622100 cites W2043497962 @default.
- W2066622100 cites W2059052523 @default.
- W2066622100 cites W2068243370 @default.
- W2066622100 cites W2069075205 @default.
- W2066622100 cites W2072683084 @default.
- W2066622100 cites W2079695387 @default.
- W2066622100 cites W2080261623 @default.
- W2066622100 cites W2080645489 @default.
- W2066622100 cites W2083794057 @default.
- W2066622100 cites W2086079334 @default.
- W2066622100 cites W2091839855 @default.
- W2066622100 cites W2093617327 @default.
- W2066622100 cites W2103164643 @default.
- W2066622100 cites W2168069327 @default.
- W2066622100 doi "https://doi.org/10.1063/1.473645" @default.
- W2066622100 hasPublicationYear "1997" @default.
- W2066622100 type Work @default.
- W2066622100 sameAs 2066622100 @default.
- W2066622100 citedByCount "55" @default.
- W2066622100 countsByYear W20666221002012 @default.
- W2066622100 countsByYear W20666221002013 @default.
- W2066622100 countsByYear W20666221002015 @default.
- W2066622100 countsByYear W20666221002017 @default.
- W2066622100 countsByYear W20666221002019 @default.
- W2066622100 countsByYear W20666221002020 @default.
- W2066622100 crossrefType "journal-article" @default.
- W2066622100 hasAuthorship W2066622100A5022695545 @default.
- W2066622100 hasAuthorship W2066622100A5076915232 @default.
- W2066622100 hasConcept C121332964 @default.
- W2066622100 hasConcept C126061179 @default.
- W2066622100 hasConcept C147597530 @default.
- W2066622100 hasConcept C166950319 @default.
- W2066622100 hasConcept C177562468 @default.
- W2066622100 hasConcept C178790620 @default.
- W2066622100 hasConcept C184779094 @default.
- W2066622100 hasConcept C185424724 @default.
- W2066622100 hasConcept C185592680 @default.
- W2066622100 hasConcept C32891209 @default.
- W2066622100 hasConcept C32909587 @default.
- W2066622100 hasConcept C41999313 @default.
- W2066622100 hasConcept C58364064 @default.
- W2066622100 hasConcept C62520636 @default.
- W2066622100 hasConcept C69928629 @default.
- W2066622100 hasConcept C73683733 @default.
- W2066622100 hasConcept C85725439 @default.
- W2066622100 hasConcept C93282013 @default.
- W2066622100 hasConceptScore W2066622100C121332964 @default.
- W2066622100 hasConceptScore W2066622100C126061179 @default.
- W2066622100 hasConceptScore W2066622100C147597530 @default.
- W2066622100 hasConceptScore W2066622100C166950319 @default.
- W2066622100 hasConceptScore W2066622100C177562468 @default.
- W2066622100 hasConceptScore W2066622100C178790620 @default.
- W2066622100 hasConceptScore W2066622100C184779094 @default.
- W2066622100 hasConceptScore W2066622100C185424724 @default.
- W2066622100 hasConceptScore W2066622100C185592680 @default.
- W2066622100 hasConceptScore W2066622100C32891209 @default.
- W2066622100 hasConceptScore W2066622100C32909587 @default.
- W2066622100 hasConceptScore W2066622100C41999313 @default.
- W2066622100 hasConceptScore W2066622100C58364064 @default.
- W2066622100 hasConceptScore W2066622100C62520636 @default.
- W2066622100 hasConceptScore W2066622100C69928629 @default.
- W2066622100 hasConceptScore W2066622100C73683733 @default.
- W2066622100 hasConceptScore W2066622100C85725439 @default.
- W2066622100 hasConceptScore W2066622100C93282013 @default.
- W2066622100 hasIssue "15" @default.
- W2066622100 hasLocation W20666221001 @default.