DBT derivatives adsorption over molybdenum sulfide catalysts: a theoretical study

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

Natural Sciences, Chemistry, Physics +17

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

Natural Sciences, Physics, Computational Chemistry +13

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

Natural Sciences, Physics, Quantum Mechanics +16

Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing

Michael Girgis, Bruce C. Gates · Industrial & Engineering Chemistry Research · 1991 · 904 citations

Natural Sciences, Chemical Engineering, Chemistry +15

Structure-Function Relations in Molybdenum Sulfide Catalysts: The "Rim-Edge" Model

M. Daage, Russell R. Chianelli · Journal of Catalysis · 1994 · 737 citations

Natural Sciences, Chemical Engineering, Chemistry +14