Publication - Journal Article Homogeneous Ni Catalysts for H₂ Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory

Journal Article

The Journal of Physical Chemistry A, vol. 114, iss. 48, pp. 12716-12724, 2010

Authors

Shentan Chen, Simone Raugei, Roger Rousseau, Michel Dupuis, R. Morris Bullock

Language English

Publication - Journal Article Homogeneous Ni Catalysts for H2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory