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J Chem Phys. 2006 Jul 7;125(1):014507.

Stochastic simulation of chemical exchange in two dimensional infrared spectroscopy.

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  • 1Department of Chemistry, University of California, Irvine, California 92697-2025, USA. sanda@karlov.mff.cuni.cz

Abstract

The stochastic Liouville equations are employed to investigate the combined signatures of chemical exchange (two-state jump) and spectral diffusion (coupling to an overdamped Brownian oscillator) in the coherent response of an anharmonic vibration to three femtosecond infrared pulses. Simulations reproduce the main features recently observed in the OD stretch of phenol in benzene.

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