Theory and modeling of relevance to prompt-NO formation at high pressure

An efficient internally contracted multiconfiguration–reference configuration interaction method

Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1988 · 3.9K citations

Natural Sciences, Chemistry, Physics +15

Mechanism and modeling of nitrogen chemistry in combustion

James A. Miller, Craig T. Bowman · Progress in Energy and Combustion Science · 1989 · 3.1K citations

Engineering, Chemical Engineering, Chemistry +12

Configuration interaction calculations on the nitrogen molecule

Stephen R. Langhoff, Ernest R. Davidson · International Journal of Quantum Chemistry · 1974 · 2.9K citations

Natural Sciences, Chemistry, Physics +16

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters · 1988 · 2.9K citations

Natural Sciences, Chemistry, Computational Chemistry +3

Current Status of Transition-State Theory

Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein · The Journal of Physical Chemistry · 1996 · 2.3K citations

Natural Sciences, Chemistry, Physics +5