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The role of exchange-correlation functionals in the potential energy surface and dynamics of N2 dissociation on W surfaces

机译：交换相关功能在势能表面中的作用以及W表面N2离解的动力学

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8 pages.-- PACS nrs.: 68.43.Mn, 82.65.+r, 82.30.Lp.

机译：8页。-PACS nrs .: 68.43.Mn，82.65。+ r，82.30.Lp.

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作者
Bocan, Gisela A.; Díez Muiño, Ricardo; Alducin Ochoa, Maite; Busnengo, Heriberto Fabio; Salin, Antoine;
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年度 2008
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正文语种 eng
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机译：交换相关功能在势能表面中的作用以及W表面N-2离解的动力学
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5. Chemical dynamics simulations of energy transfer in surface-induced dissociation, peptide ion collisions with diamond {lcub}111{rcub} and perfluorinated self-assembled monolayer surfaces. [D] . Wang, Jiangping. 2007

机译：在表面诱导的离解，与金刚石{lcub} 111 {rcub}的肽离子碰撞和全氟化自组装单层表面中进行能量转移的化学动力学模拟。
6. Comparison of potential energy surfaces and computed rate coefficients for N2 dissociation [O] . Richard L. Jaffe, Maninder Grover, Simone Venturi, -1

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7. Dynamics of the N(4Su) + NO(X 2Π) → N2(X 1Σg+) + O(3Pg) atmospheric reaction on the 3A‘ ground potential energy surface. I. Analytical potential energy surface and preliminary quasiclassical trajectory calculations [O] . Miquel Gilibert, Antonio Aguilar, Miguel González, 1992

机译：N（4SU）+ NO（X2π）→N2（×1σg+）+ O（3pg）大气反应的动力学在3a'地电位能表面上。 I.分析潜在能量表面和初步拟拟质轨迹计算

The role of exchange-correlation functionals in the potential energy surface and dynamics of N2 dissociation on W surfaces

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