Zobrazeno 1 - 10
of 35
pro vyhledávání: '"Roberta P. Saxon"'
Autor:
Roberta P. Saxon
Publikováno v:
The Journal of Physical Chemistry. 97:9356-9359
Calculations of the BH 4 radical, the dissociation products BH 3 +H and BH 2 +H 2 , and the addition reaction of BH 2 and H 2 to form BH 4 are reported. Structures have been optimized at the MCSCF level with a polarized basis set. The C 2υ symmetry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a547d2c30b37e3397192fbaf331e224e
https://doi.org/10.1021/j100139a017
https://doi.org/10.1021/j100139a017
Autor:
Megumu Yoshimine, Roberta P. Saxon
Publikováno v:
Canadian Journal of Chemistry. 70:572-579
Calculations designed to characterize the transition state and determine the barrier height for rearrangement of nitromethane to methyl nitrite are reported. Structures of CH3NO2, CH3ONO, dissociation products, CH3 + NO2, and CH3O + NO, and the trans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7a7ee66505d1a9f76055e5e9dae64c7
https://doi.org/10.1139/v92-080
https://doi.org/10.1139/v92-080
Publikováno v:
International Journal for Radiation Physics and Chemistry. 7:109-120
The Bethe theory gives an asymptotic formula for the total cross-section σ tot for inelastic scattering of fast charged particles. For a (structureless) particle of charge ze and (non-relativistic) velocity v , it is written as σ tot = 4 πa 0 2 z
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90902d580bd568bf57a5aa0b461233ba
https://doi.org/10.1016/0020-7055(75)90054-6
https://doi.org/10.1016/0020-7055(75)90054-6
Autor:
Roberta P. Saxon, H. Bichsel
Publikováno v:
Physical Review A. 11:1286-1296
The solution of the transport equation by the Laplace-transform method, introduced by Landau and modified by Vavilov and others, is compared with the solution of that equation by what we term a convolution method. An energy-loss cross section determi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11400823a1fef979e3e0edafa2272baf
https://doi.org/10.1103/physreva.11.1286
https://doi.org/10.1103/physreva.11.1286
Publikováno v:
Physical Review A. 15:543-549
The mechanism of an observed ionization channel which produces He/sup +/ at an energy loss of 18.7 +- 0.5 eV in 100--200-eV (c.m.) collisions of metastable He atoms with ground state He atoms was investigated. It is postulated that flux follows the d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::35843e78baaf37843d18bd16455371c7
https://doi.org/10.1103/physreva.15.543
https://doi.org/10.1103/physreva.15.543
Theoretical study of the ground-state geometry and excited-state spectrum of pernitric acid (HO2NO2)
Autor:
Roberta P. Saxon, B. Liu
Publikováno v:
The Journal of Physical Chemistry. 89:1227-1232
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cbd16f4708f5b2ac02d0689022bceb7f
https://doi.org/10.1021/j100253a035
https://doi.org/10.1021/j100253a035
Publikováno v:
The Journal of Chemical Physics. 64:1925-1929
Angular distribution measurements of the scattering of Ar(3P2) from Ar(1S0) at center of mass collision energies from 5 to 10 eV yield a prominent rainbow maximum at τ=Eϑ=81±3 eV‐deg. Combined with recent high energy ground state scattering data
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f9d9d1fe730cfe9aa43797aa9b2a144b
https://doi.org/10.1063/1.432477
https://doi.org/10.1063/1.432477
Theoretical study of NH2: Potential curves, transition moments, and photodissociation cross sections
Publikováno v:
The Journal of Chemical Physics. 78:312-320
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87c73cfa1d95d85e0f6eb9b49180d387
https://doi.org/10.1063/1.444503
https://doi.org/10.1063/1.444503
Autor:
Dahbia Talbi, Roberta P. Saxon
Publikováno v:
Chemical Physics Letters. 157:419-425
The 1 1 A′, 1 1 A″, 1 3 A′, and 1 3 A″ states of Li 3 H have been investigated at the MCSCF/SOCI level. The global minimum is a planar conformation of 1 A′ symmetry. A local minimum on the same potential surface at a C 3v pyramidal geometry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1948914ee9bb493e338116bfbda3bfc5
https://doi.org/10.1016/0009-2614(89)87274-4
https://doi.org/10.1016/0009-2614(89)87274-4
Autor:
Roberta P. Saxon, B. Liu
Publikováno v:
The Journal of Chemical Physics. 73:876-880
Using the computational procedure established in the previous paper, configuration interaction calculations have been performed for the 3Σg−, 3Σu−, 3Πg, 1Πg, and 1Σg+ symmetries of O2. The lowest diabatic Rydberg state for each symmetry is p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0860920820d438d67a2be09f2197a653
https://doi.org/10.1063/1.440195
https://doi.org/10.1063/1.440195