Theoretical calculations for catalytic activation of N2 on a modelled iron adsorption site

Author:

Rincón Luis,Ruette Fernando,Hernández Antonio

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. DENSITY FUNCTIONAL THEORY STUDY OF THE INTERACTIONS BETWEEN AN IRON ATOM AND A DINITROGEN MOLECULE I: THE END-ON LINEAR AND BENT STRUCTURES;Journal of Theoretical and Computational Chemistry;2006-01

2. CATIVIC: Parametric quantum chemistry package for catalytic reactions: I;International Journal of Quantum Chemistry;2003-09-09

3. Investigation of the structure sensitivity of nitrogen adsorption on single crystal ruthenium clusters using density functional theory;Studies in Surface Science and Catalysis;1997

4. Application of The MNDO Method for Fe and Mo Compounds;Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals;1996-05-01

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