COMPUTATIONAL PHOTOCHEMISTRY OLIVUCCI PDF

Computational Photochemistry M. Olivucci, A. Ab initio Methods for Excited States M. Furche, D. Negri, G. Worth et al.

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We use cookies to provide you with the best experience and to help improve our website. View Privacy Statement. We use conventional and novel computational tools to investigate the reactivity of organic and biological molecules in their electronically excited states. One major target of our work is the mapping of the photon-induced "force field" which sets an equilibrium molecular structure into motion in realistic molecular environments e.

This force field can be calculated and represented in terms of photochemical reaction paths: ie. Photochemical reaction paths comprise mechanistic elements that are not involved in the description of thermal reactions. These correspond to real crossings of different potential energy surfaces. For photochemical reactions prompted by direct irradiation these crossings often correspond to conical intersections that are regarded as the photochemical analogues of transition states.

Skip to main content. View Privacy Statement Understood. Toggle high contrast. Massimo Olivucci, Ph. Research Interests : We use conventional and novel computational tools to investigate the reactivity of organic and biological molecules in their electronically excited states.

KONGRUENSI TEORI BILANGAN PDF

Computational Photochemistry: Volume 16

We use cookies to provide you with the best experience and to help improve our website. View Privacy Statement. We use conventional and novel computational tools to investigate the reactivity of organic and biological molecules in their electronically excited states. One major target of our work is the mapping of the photon-induced "force field" which sets an equilibrium molecular structure into motion in realistic molecular environments e. This force field can be calculated and represented in terms of photochemical reaction paths: ie.

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Computational Photochemistry, Volume 16

The system can't perform the operation now. Try again later. Citations per year. Duplicate citations. The following articles are merged in Scholar.

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