International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry Journal

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Potential energy surfaces in coulomb explosion of polyatomic molecules: Benzene and cyclohexane trications and acetylene dication. 102:506-519. 2005
Experimental and calculational consequences of phases in molecules with multiple conical intersections. 92:135-151. 2003
Curl equations as substratum for the derivation of the electronic nonadiabatic coupling terms. 90:1577-1585. 2002
An ab initio/Rice-Ramsperger-Kassel-Marcus study of photo dissociation of carbonyl cyanide. 90:566-574. 2002
Ab initio molecular orbital and density functional study of the C₆H₆•I₂ complex in the ground and excited electronic states. 72:307-318. 1999
Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations. 60:1189-1200. 1996
Analytic-numerical approach to calculate electronic nonadiabatic coupling terms: Study of the C₂H molecule and the H₂+H system 2004
Quantization of the ab initio nonadiabatic coupling matrix: The C₂H molecule as a case study

International Standard Serial Number (ISSN)

0020-7608