Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Philip R. Bunker"'
Autor:
Philip R. Bunker
Publikováno v:
Bulletin des Sociétés Chimiques Belges. 89:565-578
In this review paper the definition of the elements of the molecular point group are carefully considered. It is shown that certain terms in the molecular Hamiltonian are not invariant to these operations and, hence, these terms can break the point g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::99893e96c25c69fcce037eda602500fe
https://doi.org/10.1002/bscb.19800890712
https://doi.org/10.1002/bscb.19800890712
Autor:
Kenneth M. Evenson, Trevor J. Sears, Philip R. Bunker, A. R. W. McKellar, Stephen R. Langhoff
Publikováno v:
Bulletin des Sociétés Chimiques Belges. 92:499-524
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cdffd674cc767f779c628ff144c8fad4
https://doi.org/10.1002/bscb.19830920601
https://doi.org/10.1002/bscb.19830920601
Publikováno v:
Chemical Physics Letters. 451:262-269
The lowest-lying isomers of the copper nonamer cluster, Cu 9 , are obtained from a genetic algorithm approach and density functional theory. Three isomers are found with relative energy differences of less than 0.07 eV, which makes the assignment of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d801a63893e6ec611b38dca68bcd4bd
https://doi.org/10.1016/j.cplett.2007.12.024
https://doi.org/10.1016/j.cplett.2007.12.024
Autor:
Christopher F. Neese, Sergei N. Yurchenko, Per Jensen, Wolfgang P. Kraemer, Philip R. Bunker, Jennifer L. Gottfried, Walter Thiel
Publikováno v:
Molecular Physics. 105:1369-1376
We report new ab initio calculations of the three-dimensional potential energy surfaces for the Renner-effect coupled X²A₁ ground electronic state and òB₁ first excited electronic state of the CH₂⁺ molecule. We also make an ab initio calc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::841fb37c8a47c1fc8267e1abb21754f9
https://doi.org/10.1080/00268970701344534
https://doi.org/10.1080/00268970701344534
Autor:
Per Jensen, Philip R. Bunker
Publikováno v:
Molecular Physics. 97:821-824
The equation used to determine the nuclear spin statistical weights of the energy levels of a molecule is derived directly and the special considerations required for optically active molecules are discussed.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62874b3561cff1efd5f86751a8981ec1
https://doi.org/10.1080/00268979909482882
https://doi.org/10.1080/00268979909482882
Autor:
Per Jensen, Philip R. Bunker
Publikováno v:
Molecular Physics. 97:255-264
The energy levels and wavefunctions of spherical top molecules are classified using the appropriate molecular symmetry group, and the spatial three-dimensional rotation group K (spatial). We use these groups here for the molecules CH4, SF6 and C60 as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a02d6f372b1f951371f50bb6aae4d6e1
https://doi.org/10.1080/00268979909482827
https://doi.org/10.1080/00268979909482827
Autor:
Philip R. Bunker, Lucy M. Ziurys, W. L. Barclay, Per Jensen, David O. Harris, Yong Ni, M. A. Anderson, Martin Brumm, M. Kolbuszewski
Publikováno v:
Chemical Physics Letters. 239:217-222
Using millimeter wave absorption spectroscopy we have recorded pure rotation spectra of MgOH in its ground vibrational state and in six excited vibrational states. We have also determined a large number of bending vibrational energies, and the MgO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32aab466452520cb614cff7795150ea5
https://doi.org/10.1016/0009-2614(95)00479-n
https://doi.org/10.1016/0009-2614(95)00479-n
Autor:
Per Jensen, Philip R. Bunker
Publisher Summary The aim of this chapter is to introduce the current work being done in this field using highly precise and/or sensitive molecular spectroscopy experiments. It illustrates the various symmetries that are involved in the study of high
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f75f4bad6f88aedc0f98f325fd1055a
https://doi.org/10.1016/b978-0-444-53175-9.00011-8
https://doi.org/10.1016/b978-0-444-53175-9.00011-8
Publikováno v:
The Journal of Chemical Physics. 93:6266-6280
We have carried out an ab initio calculation of the intramolecular stretching spectra (wave numbers and transition moments) of (HF)2, (DF)2, and HFDF involving v1+v2≤3, where v1 and v2 are the local mode quantum numbers for the two intramolecular (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed627569c21b1f60c26004072ba9b815
https://doi.org/10.1063/1.458996
https://doi.org/10.1063/1.458996
Autor:
André D. Bandrauk, François Légaré, Igor Litvinyuk, S. S. Wesolowski, David M. Villeneuve, Péter Dombi, Kevin F. Lee, Ferenc Krausz, Philip R. Bunker, Paul B. Corkum, P. W. Dooley
We use intense few-cycle laser pulses to ionize molecules to the point of Coulomb explosion. We use Coulomb's law or ab initio potentials to reconstruct the molecular structure of ${\mathrm{D}}_{2}\mathrm{O}$ and $\mathrm{S}{\mathrm{O}}_{2}$ from the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a2c72058ff13ee00dd791df4d12c65f
https://nrc-publications.canada.ca/eng/view/object/?id=7320bcc5-83fb-4b3e-ae16-50976d0f02a9
https://nrc-publications.canada.ca/eng/view/object/?id=7320bcc5-83fb-4b3e-ae16-50976d0f02a9