Changes of vibrational lifetimes with minor structural modification of small polyatomic molecules

Changes of Vibrational Lifetimes with Minor Structural Modification of Small Polyatomic Molecules

With the help of ultrashort laser pulses it has been possible to measure directly the population Lifetime of welldefined vrbrational modes of polyatomrc molecules in the liquid state. For a number of molecules the populatron decay was found to be of the order of picoseconds [l-l]. Special attention was pard to CH-stretching modes whrch are of considerable unportance for the radiatronless decay ...

Vibrational autoionization in polyatomic molecules.

The vibrationally autoionizing Rydberg states of small polyatomic molecules provide a fascinating laboratory in which to study fundamental nonadiabatic processes. In this review, recent results on the vibrational mode dependence of vibrational autoionization are discussed. In general, autoionization rates depend strongly on the character of the normal mode driving the process and on the electro...

Vibrational spectra of polyatomic molecules assisted by quantum thermal baths.

We assess the performance of colored-noise thermostats to generate quantum mechanical initial conditions for molecular dynamics simulations, in the context of infrared spectra of large polyatomic molecules. Comparison with centroid molecular dynamics simulations taken as reference shows that the method is accurate in predicting line shifts and band widths in the ionic cluster (NaCl)(32) and in ...

INTERACTION OF PROTEINS WITH SMALL MOLECULES

a structural survey of the polish posters

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