Quantum states of molecules at dissociation

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Project objective

A dynamical study of the H+3 and O3 molecules, near dissociation, is proposed. The photodissociation spectrum of H+3 poses real challenges to modern theoretical methods. Classical and quantum methods will be applied to the H+3 system aiming to explain the coarse-grained structure in its observed photodissociation spectrum as well as the reflection of classical objects to the dynamics at dissociation energies. Ozone, provides another particularly interesting system for a detailed dynamical study. Quantum mechanical calculations for high vibrational energy states, based on spectroscopically determined potential, will be carried out, as well as the calculation of spectroscopic properties such as the partition function for high temperature regime. The fundamental mechanisms, that control intra and intermolecular energ transfer and energy distribution among the products of unimolecular reactions is of practical importance in chemical dynamics. In order to understand these processes the development of theoretical techniques is imposed to study high energized molecules.

Original text from CORDIS.

Participants

• UNIVERSITY COLLEGE LONDON · LONDONCoordinatorUnited Kingdom
• Not availableCity levelGreece

Links

• View on CORDIS