Non-empirical pseudo-potentials for molecular calculations
Author:
Affiliation:
1. a Laboratoire de Chimie de Coordination du CNRS , B.P. 4142, 31030 , Toulouse Cedex , France
2. b Laboratoire de Physique Quantique , Université Paul Sabatier , 31077 , Toulouse Cedex , France
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268977800102401
Reference33 articles.
1. Fe and Ni AB initio effective potentials for use in molecular calculations
2. Effective Molecular Hamiltonians, Pseudopotentials and Molecular Applications
3. A molecular complex model for the chemisorption of hydrogen on a nickel surface
4. Molecular pseudopotential calculations on transition-metal complexes: Ni(CO)4, Pd(CO)4, and Pt(CO)4
5. Generalized valence bond description of the low-lying states of nickel carbonyl (NiCO)
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