Sample records for calculations 2-dimensional

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F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfaces

Gómez Carrasco, Susana ; Roncero, Octavio ; González-Sánchez, Lola ; Hernández, M. Luz ; Alvariño, José M.

13 pages, 10 figures, 5 tables.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 82.20.Db; 82.20.Pm. | Global three-dimensional adiabatic potential-energy surfaces for the excited 2(3)A'' and 1(3)A' triplet states of OHF are obtained to study the F(2P)+OH(2Π)O(3P)+HF(1Σ+) reaction. Highly accurate ab initio calcula...

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