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Hypersurface deformation, potential energy

Piela L, Kostrowicki J and Scheraga H A 1989 The multiple-minima problem in the conformational analysis of molecules. Deformation of the potential energy hypersurface by the diffusion equation method J. Phys. Chem. 93 3339... [Pg.2359]

L. Piela, J. Kostrowicki, and H. A. Scheraga,/. Phys. Chem., 93,3339 (1989). The Multiple-Minima Problem in Conformational Analysis of Molecules. Deformation of the Potential Energy Hypersurface by the Diffusion Equation Method. [Pg.66]

Each electronic state of the given stoichiometric family corresponds to a formal potential energy hypersurface E(K). Clearly, the notions of chemical species, chemical identity, and molecular deformation are dependent on the electronic state. A specific nuclear arrangement that is stable for one electronic state... [Pg.26]


See other pages where Hypersurface deformation, potential energy is mentioned: [Pg.62]    [Pg.116]    [Pg.116]    [Pg.27]    [Pg.78]    [Pg.20]    [Pg.207]    [Pg.861]    [Pg.861]    [Pg.113]   


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Energy hypersurface

Hypersurface

Potential energy hypersurface

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