Beschreibung
InhaltsangabePreface 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 (Junya 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
Produktsicherheitsverordnung
Hersteller:
Springer Verlag GmbH
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Autorenportrait
InhaltsangabePreface 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 (Junya 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
