Vibrational Dynamics in Gas Phase and Dilute Solutions PDF Download
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Author: Pamela Crum Douglass
Publisher:
ISBN:
Category :
Languages : en
Pages : 296
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Author: Pamela Crum Douglass
Publisher:
ISBN:
Category :
Languages : en
Pages : 296
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Author: Dan J. Myers
Publisher:
ISBN:
Category :
Languages : en
Pages : 558
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 4
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The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions and properties of short-lived chemical intermediates. High-resolution, high-sensitivity, laser absorption methods are augmented by high-temperature, flow-tube reaction kinetics studies with mass-spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular free radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.
Author: Frances Stephanie Rees
Publisher:
ISBN:
Category :
Languages : en
Pages : 500
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Author: Sai G. Ramesh
Publisher:
ISBN:
Category :
Languages : en
Pages : 218
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Author: Guglielmo Lanzani
Publisher: CRC Press
ISBN: 1420017519
Category : Science
Languages : en
Pages : 286
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Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and
Author: Kent R. Wilson
Publisher:
ISBN:
Category :
Languages : en
Pages : 27
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The pure rotational and vibrational-rotational absorption bands for a diatomic are calculated directly from classical molecular dynamics, classical linear response theory and classical statistical mechanical ensemble averaging with the use of simple quantum corrections. The experimental spectral band intensities and contours are well reproduced for CO from dilute gas phase through solution in compressed Ar to solution in liquid Ar by these 'Newtonian' classical spectral calculations. The typical evolution seen in vibrational spectra from multiple-peaked gas phase bands to single-peaked solution bands is observed. The 'Newtonian' gas phase calculations also match quantum and correspondence principle classical spectral calculations. This molecular dynamic approach may be applied to compute the spectra of complex molecules or liquids for which a normal mode analysis may be impractical, and may also be extended to nonequilibrium systems, for example to compute transient vibrational spectra during chemical reactions. (Author).
Author: Maximilian Morrison Heckscher
Publisher:
ISBN:
Category :
Languages : en
Pages : 186
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Author:
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ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 924
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Author:
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 436
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