Titlebook: Intramolecular Dynamics; Proceedings of the F Joshua Jortner,Bernard Pullman Conference proceedings 1982 D. Reidel Publishing Company, Dord

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Intramolecular Vibrational Relaxation of Polyatomic Molecules,the most efficient decay pathways. C.H. is discussed as an example. For molecules in the electronic excited state anharmonic interaction can be induced by vibronic coupling between different electronic states. The anharmonic interaction can be very strong. As example pyrazine is investigated.

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Algebraic Approach to Molecular Structure and Dynamics,The spectrum of a Morse oscillator and its response to an external field is discussed in detail as an introduction to the techniques, advantages and limitations of the algebraic approach.

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Siegert Quantization and Intramolecular Dynamics,The rates of intramolecular relaxation processes can often be related to the widths of resonance energies. Multichannel Siegert quantization with or without complex rotation of the interfragment coordinate offers a simple and accurate way to determine the widths and therefore the rates.

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Interference Effects in Molecular Circular Dichroism Spectra,The general line shape functions for natural and magnetic molecular circular dichroism spectra are expressed in a resolvent formalism, and specific expressions are presented for the resulting line shapes for a Fano-type interference model, where a discrete excitation is coupled vibronically to an overlapping highly dense or continuous excitation.

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Comparison Between Classical and Quantum Dynamical Chaos,Quantum mechanical constants of motion which have no classical analogue are the source of discrepancy between the onset of chaos in classical and quantum dynamical systems. This difference can be measured by using objective criterions such as the classical and quantum Kolmogorov entropy. This difference is found to the lowest order in h.

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Vibrational Energy Flow in van der Waals Molecules,We offer here propensity rules which can he used for estimating the lifetimes of vibrationally excited van der Waals molecules and identifying efficient relaxation channels. These propensity rules are based on the reluctance of a molecule to change quantum numbers during a radiationless transition between non-crossing potential surfaces.

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Spectroscopy of Large Molecules in Supersonic Expansions: Isolated Ultracold Porphyrins, information concerning intrastate and interstate intramolecular relaxation. This information pertains to central aspects of energy disposal and storage in electronically-vibrationally excited states of these isolated large molecules, which are of considerable spectroscopic and biophysical interest.

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https://doi.org/10.1007/978-94-009-7927-7chemical reaction; metals; photochemistry; quantum chemistry; spectroscopy; structure