Výsledky vyhledávání - "Glenn O. Morrell"

Autor: Klauss D. Wiegand, Sait Gencer, Benjamin P. Ketcherside, Eric L. Mulkay, Glenn O. Morrell

Publikováno v: All Days.

Data from a wide variety of sources are required for reservoir simulation. Simulation itself produces large quantities of data. Yet, good data management practices for reservoir simulation data are typically neither well-understood nor widely investi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::50e33f57229059cb832ed96618cf1f7b
https://doi.org/10.2118/106075-ms

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Extrapolation in configuration interaction calculations using perturbation theory natural orbitals: Applications to H2O and HeH2+

Autor: Glenn O. Morrell, Phil Pendergast, Edward F. Hayes

Publikováno v: The Journal of Chemical Physics. 71:124-128

A procedure for carrying out the Buenker–Peyerimhoff extrapolation using perturbation theory natural orbitals (PTNO’s) is presented. This procedure is then applied to the H2O and HeH2+ systems within the framework of a configuration space compris

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c728de7837777d3f0977517039273411
https://doi.org/10.1063/1.438110

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Quasiclassical trajectory calculations compared to quantum mechanical reaction probabilities, rate constants, and activation energies for two different potential surfaces for the collinear reaction H2+I→H+HI, including dependence on initial vibrational state

Autor: Frank M. Chapman, James W. Duff, Edward F. Hayes, Donald G. Truhlar, Joni C. Gray, Glenn O. Morrell, Laura Clemens

Publikováno v: The Journal of Chemical Physics. 69:240

Quantum mechanical calculations are compared to quasiclassical trajectory forward (QCT) calculations for the collinear, endoergic reaction H2(n1)+I→H+HI for two different potential energy surfaces, a rotated‐Morse‐curve (RMC) surface and the se

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e64dca716712865bdbaa3b6fb259dc3f
https://doi.org/10.1063/1.436401

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