Titlebook: Radiation Induced Molecular Phenomena in Nucleic Acids; A Comprehensive Theo Manoj K. Shukla,Jerzy Leszczynski Book 2008 Springer Science+B

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Mechanics

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Nonadiabatic Excited-State Dynamics of Aromatic Heterocycles: Toward the Time-Resolved Simulation oic systems. Potential energy surfaces and dynamics simulations for three particular examples and different aspects of the excited and ground state dynamics are presented and discussed. Aminopyrimidine is investigated as a model for adenine. It shows ultrafast S.-S. decay in about 400 fs. The inclusi

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Decay Pathways of Pyrimidine Bases: From Gas Phase to Solution, studies from the gas phase with those in the solution phase. Our results indicate that the intrinsic properties of the pyrimidine bases can be dramatically modified by the surrounding environment. As isolated species, the bases exhibit fast internal conversion into a long lived dark state. We prese

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Morbid

Computational Study of UV-Induced Excitations of DNA Fragments, fragments and related analogs are discussed. Although, the electronic absorption maxima of nucleic acid bases are in the UV region of the energy spectrum, these genetic molecules are highly photostable. The observed photostability is the outcome of the extremely short excited state life-times. This

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Non-Adiabatic Photoprocesses of Fundamental Importance to Chemistry: From Electronic Relaxation of tor (EDA) molecules, containing benzonitrile and diphenylacetylene moieties, have been investigated using laser spectroscopy and simple ab initio methods. The results demonstrate the central role biradical states play in the nonadiabatic energy- and charge-transfer dynamics. Specifically, subpicosec