Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Zareh Darakjian"'
Publikováno v:
The Journal of Chemical Physics. 102:4461-4471
The Parker and Pack method for calculating accurate three‐dimensional reactive scattering information uses adiabatically adjusting, principal axes hyperspherical (APH) coordinates to reduce the three‐dimensional Schrodinger equation to a set of c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3a9a7b7a6d7fd596eedc06514c44e2e
https://doi.org/10.1063/1.469494
https://doi.org/10.1063/1.469494
Publikováno v:
Journal of Computational Physics. 113:201-214
Implementation of the adiabatically adjusting, principal axis hyperspherical coordinate (APH) approach of Parker and Pack for three-dimensional reactive scattering requires solution of a series of two-dimensional (2D) surface eigenproblems. A new alg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c29ea6278aaeb1f0a96f1678734a8ca2
https://doi.org/10.1006/jcph.1994.1130
https://doi.org/10.1006/jcph.1994.1130
Publikováno v:
The Journal of Chemical Physics. 95:2516-2522
The Darakjian–Hayes direct method for determining quantum lifetimes for three atoms scattering in three physical dimensions is used to determine accurate state‐to‐state time delays for the reaction of helium with H+2 for total angular momentum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec9f66112c0900d91dd9db575d492151
https://doi.org/10.1063/1.460956
https://doi.org/10.1063/1.460956
Publikováno v:
Theoretica Chimica Acta. 79:199-213
The Bending Corrected Rotating Linear Model (BCRLM), developed by Hayes and Walker, is a simple approximation to the true multidimensional scattering problem for reactions of the type: A + BC → AB + C. While the BCRLM method is simpler than methods
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77b433fc595894238b67adf4b9eaf356
https://doi.org/10.1007/bf01113692
https://doi.org/10.1007/bf01113692
Autor:
Zareh Darakjian, Edward F. Hayes
Publikováno v:
The Journal of Chemical Physics. 93:8793-8797
A direct method for determining time delays for quantum reactive scattering is developed for three atoms scattering in three physical dimensions. The method is a simple extension of the Pack–Parker approach to reactive scattering. In their formulat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f6597f5bc434a5483e6ee883387028b2
https://doi.org/10.1063/1.459268
https://doi.org/10.1063/1.459268
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 202:111-120
Deformation density contour maps for dimethyl-γ-pyrone and for triazine trichloride derived both from X-ray diffraction intensity measurements and from ab initio electronic structure calculations are reported and a detailed comparison discussed. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42ade3c72508fce95a591aec2cd21ffd
https://doi.org/10.1016/0166-1280(89)87008-3
https://doi.org/10.1016/0166-1280(89)87008-3