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Discusses the mechanism of the ultrafast nonradiative decay processes in Nucleic Acid Bases
Investigates the design of photostable atoms and molecules
Utilizes theory and experimental techniques to examine photophysical behaviour in nucleic acids
Describes the computational methods used to study excited state properties of Nucleic Acid Bases and DNA
This volume presents a comprehensive overview of theoretical and experimental data on Ultraviolet radiation and low energy electron induced phenomena in nucleic acid fragments. The elucidation of possible mechanisms of these events is important for all living species and hence the technical challenges involved in the exploration of these processes are discussed. This volume will be of particular interest for those involved in understanding the photophysical and photochemical properties of nucleic acid bases, base assemblies, and also model systems related to nucleic acids. The chapter contributions assembled in Radiation Induced Molecular Phenomena in Nucleic Acids are written by theoreticians and experimentalists of international distinction.
Radiation Induced Molecular Phenomena in Nucleic Acids will be a useful reference to advanced undergraduates, postgraduates, academics, and researchers in computational chemistry and physics, physical chemistry, biochemistry, photochemistry, biophysics, molecular biology, materials science, and those engaged in nucleic acid research.
Content Level »Professional/practitioner
Keywords »Base - DNA - ENDOR - Pyrimidine - Simulation - computational chemistry - low temperature - nucleci acid bases - photochemical properties - photophysical properties - photostable phenomena - quantum chemical methods - spectroscopy - structural nonplanarity - temperature
Preface Chapter 1 - Radiation Induced Molecular Phenomena in Nucleic Acids: A Brief Introduction
(Manoj K. Shukla and Jerzy Leszczynski) Chapter 2 - Single-Reference Methods for Excited States in Molecules and Polymers
(So Hirata, Peng-Dong Fan, Toru Shiozaki, and Yasuteru Shigeta) Chapter 3 - An Introduction to Equation-of-Motion and Linear-Response Coupled-Cluster Methods for Electronically Excited States of Molecules
(John D. Watts) Chapter 4 - Exploring Photobiology and Biospectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration Interaction) Method
(Jun-ya Hasegawa and Hiroshi Nakatsuji) Chapter 5 - Multiconfigurational Quantum Chemistry for Ground and Excited States
(Björn O. Roos) Chapter 6 - Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Theory (CASPT2) with the Four-Component Dirac Hamiltonian
(Minori Abe, Geetha Gopakmar, Takahito Nakajima, and Kimihiko Hirao) Chapter 7 - Structure and Properties of Molecular Solutes in Electronic Excited States: A Polarizable Continuum Model Approach Based on the Time-Dependent Density Functional Theory
(Roberto Cammi and Benedetta Mennucci) Chapter 8 - Nonadiabatic Excited-State Dynamics of Aromatic Heterocycles: Toward the Time-Resolved Simulation of Nucleobases|
(Mario Barbatti, Bernhard Sellner, Adélia J. A. Aquino, and Hans Lischka) Chapter 9 - Excited-State Structural Dynamics of Nucleic Acids and Their Components
(Brant E. Billinghurst, Sulayman A. Oladepo, and Glen R. Loppnow) Chapter 10 - Ultrafast Radiationless Decay in Nucleic Acids: Insights from Nonadiabatic Ab InitioMolecular Dynamics
(Nikos L. Doltsinis, Phineus R. L. Markwick, Harald Nieber, and Holger Langer) Chapter 11 - Decay Pathways of Pyrimidine Bases: From Gas Phase to Solution
(Wei Kong, Yonggang He, and Chengyin Wu) Chapter 12 - Isolated DNA Base Pairs, Interplay Between Theory and Experiment
(Mattanjah S. de Vries) Chapter 13 - Isolated Guanine: Tautomerism, Spectroscopy and Excited State Dynamics
(Michel Mons, Iliana Dimicoli, and F. Piuzzi) Chapter 14 - Computational Study of UV-Induced Excitations of DNA Fragments
(Manoj K. Shukla and Jerzy Leszczynski) Chapter 15 - Non-Adiabatic Photoprocesses of Fundamental Importance to Chemistry: From Electronic Relaxation of DNA Bases to Intramolecular Charge Transfer in Electron Donor-Acceptor Molecules
(Marek Z. Zgierski, Takashige Fujiwara, and Edward C. Lim) Chapter 16 - Photostability and Photoreactivity in Biomolecules: Quantum Chemistry of Nucleic Acid Base Monomers and Dimers
(Luis Serrano-Andrés and Manuela Merchán) Chapter 17 - Computational Modeling of Cytosine Photophysics and Photochemistry: From the Gas Phase to DNA
(Luis Blancafort, Michael J. Bearpark, and Michael A. Robb) Chapter 18 - From the Primary Radiation Induced Radicals in DNA Constituents to Strand Breaks: Low Temperature EPR/ENDOR Studies
(David M. Close) Chapter 19 - Low Energy Electron Damage to DNA 531
(Léon Sanche) Chapter 20 - Radiation Effects on DNA: Theoretical Investigations of Electron, Hole and Excitation Pathways to DNA Damage
(Anil Kumar and Michael D. Sevilla) Chapter 21 - Stable Valence Anions of Nucleic Acid Bases and DNA Strand