Titlebook: Applied Quantum Chemistry; Proceedings of the N Vedene H. Smith,Henry F. Schaefer,Keiji Morokuma Conference proceedings 1986 D. Reidel Publ

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Molecular Conformation and Potential Energy Surface Topology,Since molecules may be regarded either as geometrical or as topological objects the interdependence of classical molecular conformational analysis and potential energy surface topology is sought in the case of a selected few saturated organic molecules

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,The Reaction Path of HNO (1A″) Formation from H and NO,The potential energy curve of HNO (? .A″) has been calculated in terms of a minimal basis set (STO 3G) by means of MCSCF (CAS SCF). The geometries were optimized along the reaction path, i.e. H + NO → HNO. There is a region in which the bond length ?(NO) and the bond angle θ(HN0) change suddenly.

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Norbert H. Seemayer,Wolfgang Hadnagyuition is the source of quantum leaps in science, especially in quantum chemistry. These Nobelists have been much honored for their scientific achievements. My purpose here is to discuss their extraordinary intuition without which there would be no quantum chemistry, for quantum chemistry is nothing more than quantum mechanics plus intuition.

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