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Pregled bibliografske jedinice broj: 81656

A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+))


Murrell, JN; Wright, TG; Bosanac, Slobodan
A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+)) // Theochem-Journal of Molecular Structure, 591 (2002), 1-9 (međunarodna recenzija, članak, znanstveni)


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Naslov
A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+))

Autori
Murrell, JN ; Wright, TG ; Bosanac, Slobodan

Izvornik
Theochem-Journal of Molecular Structure (166-1280) 591 (2002); 1-9

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
H-2. Heh. Lih. Lihe. Bound states. Accurate potentials. Triplet states. Isotopomers. Van der waals.

Sažetak
Calculations based on accurate potentials have been made to search for bound levels of the lowest triplet states of hydrogen and lithium hydride, and the doublet ground states of HeH and LiHe. For the triplet state of H-2, a previously reported high quality potential energy curve was employed. For the other three molecules, RCCSD(T) potentials have been calculated over a large range of interatomic distance and the results are shown to compare favourably with other accurate potentials. For each molecule the minimum reduced mass that would produce a bound level has been calculated. It is shown that triplet hydrogen is unbound for all isotopes (but only just for T-2), and that HeH is also unbound for all isotopes. Triplet LiH is found to have bound levels for all commonly occurring isotopomers. Apparently for the first time, LiHe is found to have a bound level for the 6 LiHe and (LiHe)-Li-7 isotopomers, and the energy of these levels have been determined.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA


Projekt / tema
0098042

Ustanove
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Slobodan Bosanac (autor)

Citiraj ovu publikaciju

Murrell, JN; Wright, TG; Bosanac, Slobodan
A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+)) // Theochem-Journal of Molecular Structure, 591 (2002), 1-9 (međunarodna recenzija, članak, znanstveni)
Murrell, J., Wright, T. & Bosanac, S. (2002) A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+)). Theochem-Journal of Molecular Structure, 591, 1-9.
@article{article, year = {2002}, pages = {1-9}, keywords = {H-2. Heh. Lih. Lihe. Bound states. Accurate potentials. Triplet states. Isotopomers. Van der waals.}, journal = {Theochem-Journal of Molecular Structure}, volume = {591}, issn = {166-1280}, title = {A search for bound levels of the van der waals molecules: H-2(a(3)Sigma+(+)(u)), HeH(X-2 Sigma(+)), LiH(a(3)Sigma(+)) and LiHe(X-2 Sigma(+))}, keyword = {H-2. Heh. Lih. Lihe. Bound states. Accurate potentials. Triplet states. Isotopomers. Van der waals.} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • SCI-EXP, SSCI i/ili A&HCI


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  • Chemical Abstracts





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