organized with the Assistance of the National Computing Centre and the IT Skills Agency; hosted by IBM United Kingdom Ltd at IBM South Bank ; edited by Francis Swanson and Philip Virgo
Partial table of contents / Evelyn M. Goldfield ; Radu Balescu ; I. McNab ; P. Attard ; R. Gordon ; K. Schweizer ; W. Domcke ; R. Lovett ; C. Dellago,et al. ; M. W. Evans ; C. Dellago, et al. ; Alastair D. Bruce ; S. H. Lin, et al. ; J. Paldus ; G. Zundel ; Clifford E. Dykstra ; S. Kais ; A. Stuchebrukhov ; M. Muthukumar ; D. Hanson ; R. Stratt ; B. Bagchi ; J. Cina, et al.
The Spectroscopy of H3?+ / D. Micha ; M. Allen, et al.? ; S. H. Lin, et al ; Myung S. Jhon ; Stuart C. Althorpe ; Stephen K. Gray ; K. Muller-Dethlefs, et al. ; M. Goh ; T. Lodge, et al. ; R. Metz, et al. ; H. Jagannath
Electrolytes and the Electric Double Layer
Transition Path Sampling / G. Hall? ; J. Curro ; G. Stock ; M. Baus
Ultrafast Dynamics and Spectroscopy of Bacterial Photosynthetic Reaction Centers / S. Jeffers ; Nigel B. Wilding
Hydrogen Bonds with Large Proton Polarizability and Proton Transfer Processes in Electrochemistry and Biology / X. Li
Intermolecular Interaction: From Properties to Potentials and Back
Toward Ab Initio Theory of Long-Distance Electron Tunneling in Proteins: Tunneling Currents Approach / P. Serra
Nucleation in Polymer Crystallization
Chemistry Induced by Core Electron Excitation
Internal Excitations in Liquids
Time-Resolved Optical Tests for Electronic Geometric Phase Development / A. Chandra
Hard Convex Body Fluids / E. Vilallonga
Physicochemical Properties of Nanostructured Perfluoropolyether Films
Ilya Prigogine: His Life, His Work
Polyelectrolyte Dynamics / Juan Carlos Juanes-Marcos
ZEKE Spectroscopy: High-Resolution Spectroscopy with Photoelectrons
Atomic Force Microscopy of Polymer Films / U. Mohanty
Dynamics of Entangled Polymer Liquids: Do Linear Chains Reptate? / M. Koper ; T. Komatsuzaki ; Arun Yethiraj ; D. Kohen ; Benoit Champagne ; V. Makarov ; David C. Morse ; D. Andrews ; J. Doll, et al
Transition State Spectroscopy of Bimolecular Reactions Using Negative Ion Photodetachment / D. Lee
Quantum Dynamics of Chemical Reactions / H. Caulfield ; J. Krzystek ; Udayan Mohanty ; Pierre Gaspard ; Jonathan S. Ellis
Applications of Doppler Spectroscopy to Photofragmentation / P. Gaspard, et al. ; J. Douglas
Integral Equation Theories of the Structure, Thermodynamics, and Phase Transitions of Polymer Fluids
Theory of Ultrafast Nonadiabatic Excited-State Processes and their Spectroscopic Detection in Real Time
The Thermodynamic Forces in an Interface
The Present Status of The Quantum Theory of Light
Computational Strategies For Mapping Equilibrium Phase Diagrams
A Critical Assessment of the Coupled Cluster Method in Quantum Chemistry
Finite-Size Scaling For Atomic and Molecular Systems
Collective Orientational Relaxation in Dense Dipolar Liquids / S. Lin, et al.
The Collisional Time-Correlation Function Approach to Molecular Energy Transfer / F. Huisken
Supercooled Liquids / Eckart Wrede ; Mark S. Child
Oscillations and Complex Dynamical Bifurcations in Electrochemical Systems
Polymer Melts at Solid Surfaces / M. Lester? ; S. Urban ; L. Ungar ; I. Weissbuch, et al. ; R.S. Berry ; Antonio F. Ra?ada ; Vladimir I. Gaiduk
Theory of Constrained Brownian Motion / R. McDiarmid ; D. Tannor ; David Bishop ; J. Stanton ; I. Khmelinskii
Equilibrium and Dynamical Fourier Path Integral Methods / K. Hopkins
Holography and Double Phase Conjugation / M. Eiswirth, et al. ; A. Albrecht
Fragility Metrics in Glass-Forming Liquids / S. Adelman, et al. ; J. von Schutz?
New Ways of Understanding Semiclassical Quantization / Michael Thompson
Ultrafast Processes and Transition-State Spectroscopy / M. Laradji, et al. ; E. Garboczi ; R. Hilfer ; Aleksij Aksimentiev, et al. ; Petra E. Jonsson ; B. Kim
Infrared Vibrational Predissociation Spectroscopy of Small Size-Selected Clusters
Time Asymmetry in Nonequilibrium Statistical Mechanics / M. Evans ; Aleksij Aksimentiev, et al ; A. I. Burshtein
The Influence of The Geometric Phase on Reaction Dynamics
Indexes
Vibrational Predissociation Dynamics of Van Der Waals Complexes: Product Rotational State Distributions
Molecular Self-Assembly into Crystals at Air-Liquid Interfaces / A. Wurflinger ; J. Cina
Chemical Reaction Dynamics: Many-Body Chaos and Regularity
On the Electronic Spectra of Small Linear Polyenes / Jose L. Trueba ; Boris M. Tseitlin
Phase Space Approach to Dissipative Molecular Dynamics
Calculations of Nonlinear Optical Properties for the Solid State
Magnetic Field Influence on Dynamics of Singlet-Triplet Conversion / J. Gauss
Synergistic Effects in Two-Photon Absorption: The Quantum Electrodynamics of Biomolecular Mean-Frequency Absorption
Mechanistic Classification of Chemical Oscillators and the Role of Species / Y. Luo
On Global Energy Conservation in Nonlinear Light-Matter Interaction: The Nonlinear Spectroscopies, Active and Passive
Molecular Theory of Liquid-Phase Vibrational Energy Relaxation / R. Brown
Triplet Excitons in Weak Organic Charge-Transfer Crystals
Hydrodynamics and Slip at the Liquid-Solid Interface / Ilya Prigogine ; Gabriel G. Balint-Kurti
Quantum Monodromy and Molecular Spectroscopy
Ternary Systems Containing Surfactants
Intrinsic Viscosity and the Polarizability of Particles Having a Wide Range of Shapes
Transport and Relaxation Phenomena in Porous Media
Morphology of Surfaces in Mesoscopic Polymers, Surfactants, Electrons, or Reaction-Diffusion System: Methods, Simulations, and Measurements / C. Winstead ; Chaos ; M. Toda
Superparamagnetism and Spin Glass Dynamics of Interacting Magnetic Nanoparticle Systems / A. Bawagan ; R. Lionberger ; Ron Elber, et al. ; W. Wernsdorfer
Some Properties of Longitudinal Fields and Photons / D. Bauschlicher, et al. ; G. Mazenko ; C. Chatzidimitriou-Dreismann ; A. Polimeno
Non-Markovian Theories of Transfer Reactions in Luminescence and Chemiluminescence and Photo- and Electrochemistry / M. Kimura, et al.
Dielectric Properties of Liquid Crystals Under High Pressure / Hiro-o-Hamaguchi ; Vassiliy Lubchenko ; P. Hanggi ; E. Wajnryb, et al. ; P. Luisi
Short-Time Fluorescence Stokes Shift Dynamics
Topological Electromagnetism with Hidden Nonlinearity
Molecular Models for Calculation of Dielectric/Far-Infrared Spectra of Liquid Water
A Discussion of some Problems Associated with the Quantum Mechanical Treatment of Open-Shell Molecules / Oliver Henri-Rousseau, et al.
Some Applications of Fractional Calculus to Polymer Science / I. Epstein ; P. Kottis ; J. Williams ; Oliver Henri-Rousseau, et al ; Yuriy L. Raikher ; Tomio Petrosky ; Shiyang Zou ; Ryosuke Ozawa ; V. McKoy? ; S. Havriliak ; G. Ashkenazi, et al.
Dynamics of Chemical Reactions and Chaos / Nils Abramson
Author Index
Bridging the Gap Between Long Time Trajectories and Reaction Pathways / E. Davidson ; W. Russel
Classical and Quantum Magnetization Reversal Studies in Nanometer-Sized Particles and Clusters / S. Guerin
Accurate Quantum Chemical Calculations
Fluctuating Nonlinear Hydrodynamics, Dense Fluids, and the Glass Transition
Complex Scaling and Dynamical Processes in Amorphous Condensed Matter
Electron Degradation in Molecular Substances / J. Freed
The Phenomenological and Statistical Thermodynamics of Nonuniform Systems / Peter G. Wolynes ; P. Jung
Self-Reproduction of Micelles and Vesicles: Models for the Mechanisms of Life from the Perspective of Compartimented Chemistry
Dynamics of Chemical Reactions / E. Wajnryb
Subject Index / Y. Jung, et al.
Infrared Lineshapes of Weak Hydrogen Bonds: Recent Quantum Developments
Wavepacket Theory of Photodissociation and Reactive Scattering / William T. Coffey, et al. ; S. Okazaki
Feedback Analysis of Mechanisms for Chemical Oscillators / A. DePristo ; L. Blum
The Dynamics of Triplet Excitons in Mixed Molecular Crystals / H. Matzing
Aspects of the Optical Kerr Effect and Cotton-Mouton Effect of Solutions
Structure of Ionic Liquids and Ionic Liquid Compounds: Are Ionic Liquids Genuine Liquids in the Conventional Sense? / T. Pacher, et al. ; Victor I. Stepanov ; Gonzolo Ordonez ; Alex Brown
Electron Scattering by Small Molecules / J. Dejardin
Quantum Description of the Impulsive Photodissociation Dynamics of 1- 3 in Solution
Ellipsoids in Holography and Relativity / Y. Jung,et al.
Understanding Electron Correlation: Recent Progress in Molecular Synchrotron Photoelectron Spectroscopy / S. F. C. O'Rourke, et al.
Microscopic Theories of the Rheology of Stable Colloidal Dispersions
A Many-Body Stochastic Approach to Rotational Motions in Liquids / H. Jauslin ; Ajit J. Thakkar
Colored Noise in Dynamical Systems / V. Zubkus, et al. ; G. Stedman ; S. F. C. O'Rourke, et al ; Vincenzo Schettino
A Stochastic Theory of Single Molecule Spectroscopy / M. Seulveda ; M. Mareschal ; J. Dahler ; D. F. Roscoe
Itinerant Oscillator Models of Fluids / G. Fletcher, et al. ; J. Ogilvie, et al.
Dynamical Approach to Vibrational Relaxation
Structure of the Electric Double Layer / A. Kara
Chemical Kinetics of Flue Gas Cleaning by Irradiation with Electrons
Adiabatic and Quasidiabatic States in a Gauge Theoretical Framework / J. Burdett
Nonlinear Dynamic Susceptibilities and Field-Induced Birefringence in Magnetic Particle Assemblies
Optimal Control Theory for Manipulating Molecular Processes
The Microscopic Quantum Theory of Low Temperature Amorphous Solids
Electric Polarization of Polar Time-Dependent-Rigid Materials / J. Stemwedel, et al. ; G. Debiais
Two-Center Effects in Ionization by Ion-Impact in Heavy-particle Collisions / A.R. Altenberger
Control of Quantum Dynamics By Laser Pulses: Adiabatic Floquet Theory / Martin H. Muser, et al.
The Momentum Density Perspective of the Electronic Structure of Atoms and Molecules
Theoretic Physicochemical Problems of Clathrate Compounds / J. Skolnick ; H. Kono, et al.
Selection Rules for Coherent and Incoherent Nonlinear Optical Processes
Quantum and Classical Dynamics of Nonintegrable Systems / M. Basilevsky
Microscopic Simulations of Complex Flows / Hiroki Nakamura ; Roberto Bini ; G. Ali Mansoori ; F. Grossman? ; J. Dormann, et al.
The Newtonian Viscosity of a Moderately Dense Suspension
Astrophysics in the Dark: Mach's Principle Lights the Way
Developments in Parallel Electronic Structure Theory / Askold N. Malakhov
The Rational g Factor of Diatomic Molecules in State 1 Sigma; + or 0 +
Molecule-Surface Scattering and Reaction Dynamics / J. Pesonen
Some Structural-Electronic Aspects of High Temperature Superconductors
Formulation of Oscillatory Reaction Mechanisms by Deduction from Experiments / A. Parkins ; Yves Pomeau
Nonlinear Dielectric and Kerr Effect Relaxation in Alternating Fields
Statistical Mechanics of Static and Low-Velocity Kinetic Friction / F. Baras ; D. Weaire, et al. ; Hector A. Munera ; J.S. Dahler ; W. Lauterborn, et al.
A Theoretical Study of Origins of Resonance Raman and Resonance Fluorescence Using a Split-Up of the Emission Correlation Function / H. Abru?a ; A. Kolinski
Nonadiabatic Chemical Dynamics: Comprehension And Control of Dynamics, And Manifestation of Molecular Functions / W. Coffey, et al. ; V. Ryaboy
Time-Dependent Semiclassical Mechanics / Matteo Ceppatelli ; J. Anderson
Magnetic Relaxation in Fine- Particle Systems
Author Index Subject / Andrey L. Pankratov
Simulation and Symmetry in Molecular Diffusion and Spectroscopy / L. Halonen
The Interaction of Squeezed Light with Atoms
Diamondoid Molecules / David L. Osborn
A Review of Foam Drainage / T. Erber ; M. Mansour
A Semiclassical Model of the Photon Based on Objective Reality and Containing Longitudinal Field Components
The Role of Self-Similarity in Renormalization Group Theory
Experimental and Theoretical Bubble Dynamics
A Comparative Study Electron- and Positron-Polyatomic Molecule Scattering
Index
Probing Electrochemical Interfaces with X-Rays
Dynamics of Dense Polymer Systems: Computer Simulations and Analytic Theories
On the Theory of Debye and Neel Relaxation of Single Domain Ferromagnetic Particles
One-Dimensional Quantum Mechanical Problems with Complicated Potentials: The Propagator Method of Solution and Some Chemical Applications / I. Bersuker
Statistical Mechanics of a Gravitational Plasma
Predicting Rare Events in Molecular Dynamics / Lucia Ciabini ; Savo Bratos
Evolution Times of Probability Distributions and Averages-Exact Solutions of the Kramers' Problem / By Pal R. Molnar
Recent Advances in the Theory of Vibration-Rotation Hamiltonians / K. Ando ; Pal R. Molnar
Exploring Multiple Reaction Paths to a Single Product Channel / D. Anderson, et al. ; V. Hurtubise ; L. Fried ; Marcel O. Vlad
Microscopic Simulations of Chemical Instabilities / N. Henriksen ; G. Hockney
The Effective Eigenvalue Method and Its Application to Stochastic Problems in Conjunction with the Nonlinear Langevin Equation / Michal Ben-Nun ; V. Krasnoholovets, et al. ; S. Borshch
Periodic Surfaces of Prescribed Mean Curvature / Ivan Powis ; Margherita Citroni ; Michael Wulff ; L. Geoghegan, et al. ; Milan Meszaros ; J.F. Stanton ; J. Hynes
Theoretical Concepts in Molecular Photodissociation Dynamics / K. Freed ; S. Mukamel ; John Ross
Complex Systems: Equilibrium Configurations of N Equal Charges on a Sphere (2 < N < 112)
Proton Transfer and Coherent Phenomena In Molecular Structures with Hydrogen Bonds / Todd J. Martinez
Vibronic Interactions in Polynuclear Mixed-Valence Clusters / C. Knobler
Photoelectron Circular Dichroism in Chiral Molecules
Chemical Reactions at Very High Pressure
Differential Recurrence Relations for Non-Axially Symmetric Rotational Fokker-Planck Equations / C. Nicolis
Significance of the Sagnac Effect: Beyond the Contemporary Physics
Electron-Correlated Approaches for the Calculation of NMR Chemical Shifts
Acid-Base Proton Transfer and Ion Pair Formation in Solution
The Algebra of Effective Hamiltonians and Operators: Exact Operators
Simulation of Nonlinear Electronic Spectroscopy in the Condensed Phase
Time-Resolved X-Ray Diffraction from Liquids / R. B. Metz ; Gerhard Stock
Ab Initio Quantum Molecular Dynamics / By Lawrence B. Crowell ; C.O. Silva
Recent Developments in the Study of Monolayers at the Air-Water Interface / K. Fuke, et al. ; Lawrence B. Crowell
Inverse Problems for Reaction-Diffusion Systems with Application to Geographical Population Genetics / M. Glaser
Author / G. Nicolis
Spectroscopy of the Potential Energy Surfaces for C-H and C-O Bond Activation by Transition Metal and Metal Oxide Cations / P. Manson ; C. Van den Broeck
Non-Abelian Electrodynamics: Progress and Problems / Michael Thoss
Structures, Spectroscopies, and Reactions of Atomic Ions with Water Clusters / M.A.C. Nascimento
Chaos in Dissipative Systems: Understanding Atmospheric Physics / N. Clark ; David S. Boucher
Classical Description of Nonadiabatic Quantum Dynamics / I. A. Khovanov ; G. Morriss
Computational Chemistry of Acids
Melting and Liquid Structure in Two Dimensions
Carnot Efficiency Revisited
Recent Progress in the Statistical Mechanics of Interaction Site Fluids / Richard A. Loomis ; Sergiy Bubin ; D. G. Luchinsky ; A. Karpfen
Stabilization Of Different Conformers of weakly Bound Complexes to Access Varying Excited-State Intermolecular Dynamics / A. Arneodo ; Y. Volodin, et al.
Cooperative Effects in Hydrogen Bonding / Mauricio Cafiero ; R. Mannella
On the Theory of the Origin of Spatially Nonuniform Stationary States (Dissipative Structures) in Heterogeneous Catalytic Systems / B. Audit ; A.V. Barzykin, et al.
Solvent Effects in Nonadiabatic Electron-Transfer Reactions: Theoretical Aspects / Ludwik Adamowicz ; A.V. Barzykin,et al ; P. V. E. McClintock ; E. B. Brodie of Brodie
Non-Born-Oppenheimer Variational Calculations of Atoms and Molecules with Explicitly Correlated Gaussian Basis Functions
Fluctuational Escape and Related Phenomena in Nonlinear Optical Systems
Beltrami Vector Fields in Electrodynamics-a Reason for Reexamining the Structural Foundations of Classical Field Physics? / S. Nicolay ; Donald Reed ; P. St. Jean
Constancy of Velocity of Light and Stochastic Background / Sisir Roy ; Y. d'Aubenton-Carafa
Energy for the Future: High-Density Charge Clusters / C. Thermes ; Harold L. Fox ; M. Touchon
DNA in Chromatin: From Genome-Wide Sequence Analysis to the Modeling of Replication in Mammals / Petar K. Anastasovski ; C. Vaillant ; David B. Hamilton
The Superluminal Theory and Effects
Biological Rhythms as Temporal Dissipative Structures / Albert Goldbeter ; Fabio Cardone ; Roberto Mignani
Superluminal Effects and Tachyon Theory
Topological Approaches to Electromagnetism / Terence W. Barrett
Partial table of contents / Evelyn M. Goldfield ; Radu Balescu ; I. McNab ; P. Attard ; R. Gordon ; K. Schweizer ; W. Domcke ; R. Lovett ; C. Dellago,et al. ; M. W. Evans ; C. Dellago, et al. ; Alastair D. Bruce ; S. H. Lin, et al. ; J. Paldus ; G. Zundel ; Clifford E. Dykstra ; S. Kais ; A. Stuchebrukhov ; M. Muthukumar ; D. Hanson ; R. Stratt ; B. Bagchi ; J. Cina, et al.
The Spectroscopy of H3?+ / D. Micha ; M. Allen, et al.? ; S. H. Lin, et al ; Myung S. Jhon ; Stuart C. Althorpe ; Stephen K. Gray ; K. Muller-Dethlefs, et al. ; M. Goh ; T. Lodge, et al. ; R. Metz, et al. ; H. Jagannath
Inorganic and Bioinorganic Reaction Mechanisms: Application of High Pressure Techniques / R. Van Eldik ; C. Ducker-Benfer ; F. Thaler A. Roodt ; A. Abou-Hamdan ; H.P. Engelbrecht ; A.E. Merbach
Substitution Studies of Second and Third Row Transition Metal OXO Complexes / J.J. Cruywagen
Protonation, Oligomerization, and Condensation Reactions of Vanadate(V) Molybdate(V) and Tungstate(VI) / Z. Guo ; P.J. Sadler
The Cobalt(III)-Promoted Synthesis of Small Peptides
Biological and Synthetic [Fe[subscript 3]S[subscript 4]] Clusters / Michael K. Johnson ; Randall E. Duderstadt ; Evert C. Duin
Introduction / I.：
Historical Perspective / II.：
Occurrence and Function / III.：
Structures / IV.：
Electronic, Magnetic, and Vibrational Properties / V.：
Cluster Conversions / VI.：
Synthetic Model Compounds / VII.：
Mixed Metal Clusters / VIII.：
Future Directions / IX.：
References
The Structures of Rieske and Rieske-Type Proteins / Thomas A. Link
Historical Background
Structural Aspects
Spectroscopy
Electrochemistry
Biosynthesis
Function
Outlook
Structure, Function, and Biosynthesis of the Metallosulfur Clusters in Nitrogenases / Barry E. Smith
The Fe Proteins of Molybdenum Nitrogenase
The MoFe Proteins
Biosynthesis of Molybdenum Nitrogenase
The Mechanism of Molybdenum Nitrogenase
The Alternative Nitrogenases
Conclusions and Outlook
The Search for a "Prismane" Fe-S Protein / Alexander F. Arendsen ; Peter F. Lindley
Historical Discovery of "Prismane" Protein (Now Termed Feps)
Crystallographic Studies
Conclusion and Future Studies
NMR Spectra of Iron-Sulfur Proteins / Ivano Bertini ; Claudio Luchinat ; Antonio Rosato
Electron Relaxation Times
Valence Delocalization
Considerations on the Reduction Potential
Solution Structure
Folding
Perspectives
Nickel-Iron-Sulfur Active Sites: Hydrogenase and CO Dehydrogenase / Juan C. Fontecilla-Camps ; Stephen W. Ragsdale
General Concepts Regarding Nickel and Iron-Sulfur
Hydrogenase
CODH/ACS
Conclusions
FeS Centers Involved in Photosynthetic Light Reactions / Barbara Schoepp ; Myriam Brugna ; Evelyne Lebrun ; Wolfgang Nitschke
2[4Fe-4S] Proteins
The Bridging Cluster F[subscript x]
[2Fe-2S] Ferredoxins
High-Potential Iron-Sulfur Proteins
The Rieske Protein
Evolutionary Remarks
Simple and Complex Iron-Sulfur Proteins in Sulfate Reducing Bacteria / Isabel Moura ; Alice S. Pereira ; Pedro Tavares ; Jose J. G. Moura
Rubredoxin and Desulforedoxin
Desulfoferrodoxin
Rubrerythrin
Ferredoxins
Fuscoredoxin (Novel Fe-S Cluster)
APS Reductase
Pyruvate-Ferredoxin Oxidoreductase
Sulfite Reductase
Molybdopterin-Containing Enzymes in SRB / X.：
Concluding Remarks / XII.：
Application of EPR Spectroscopy to the Structural and Functional Study of Iron-Sulfur Proteins / Bruno Guigliarelli ; Patrick Bertrand
EPR Characteristics and Relaxation Properties of the Centers
Application of EPR to the Structural Study of Iron-Sulfur Proteins
Application of EPR to the Functional Study of Iron-Sulfur Centers
Conclusion
Spin-Lattice Relaxation Processes / Appendix：
Index
Contents of Previous Volumes
Clinical Reactivity of the Active Site of Myoglobin / Emma Lloyd Raven ; A. Grant Mauk
Cloning and Expression of Recombinant Myoglobin
Active Site Variants of Myoglobin
Electron Transfer Reactions of Myoglobin
Peroxidase Activity
Lipoxygenase Activity
Monooxygenase Activity
Coupled Oxidation
Sulfmyoglobin
Other Reactions of Myoglobin
Enzymology and Structure of Catalases / Peter Nicholls ; Ignacio Fita ; Peter C. Loewen
Categorization
Physiology
Kinetics
Structure of Type A Catalases
Structure of Type B Catalase-Peroxidases
Structure of Chloroperoxidase
Mechanism of the Catalytic Reaction
Summary
Horseradish Peroxidase / Nigel C. Veitch ; Andrew T. Smith
Biochemistry and Molecular Biology
General Features of the Enzyme
Structure and Function
Applications
Structure and Enzymology of Diheme Enzymes: Cytochrome cd[subscript 1] Nitrate and Cytochrome c Peroxidase / Vilmos Fulop ; Nicholas J. Watmough ; Stuart J. Ferguson
Cytochromes cd[subscript 1]
Diheme Cytochrome c Peroxidases
Binding and Transport of Iron-Porphyrins by Hemopexin / William T. Morgan ; Ann Smith
Biological Properties of Hemopexin
Biological Activities of Hemopexin
Physical-Chemical Properties of Hemopexin
Hemopexin Receptor Properties on Heme-Hemopexin
Structures of Gas-Generating Heme Enzymes: Nitric Oxide Synthase and Heme Oxygenase / Thomas L. Poulos ; Huiying Li ; C. S. Raman ; David J. Schuller
Biological Targets of NO and CO Action
Overview of Oxygen Activating Heme Enzymes
Background on NOS
NOS Structure
NOS Catalytic Structure
Background on HO
HO Structure
HO Catalytic Mechanism
The Nitric Oxide-Releasing Heme Proteins From the Saliva of the Blood-Sucking Insect Rhodnius prolixus / F. Ann Walker ; William R. Montfort
Spectroscopic Characterization of the Nitrophorins
Crystallization and Structural Determination of Nitrophorins
Kinetics and Thermodynamics of Ligand Binding
Reduction Potentials of Nitrophorins in the Absence and Presence of NO, Histamine, and Other Ligands
Summary and Future Directions
Heme Oxygenase Structure and Mechanism / Paul R. Ortiz de Montellano ; Angela Wilks
Biological Function of Heme Oxygenase
Heme Oxygenase Model Systems
Heme Oxygenase: The Protein
Human HO-1 Crystal Structure
Interaction with Cytochrome P450 Reductase
Gaseous Ligands
Substrate Specificity
The First Stage: [alpha]-meso-Hydroxylation
The Second Stage: [alpha]-meso-Hydroxyheme to Verdoheme
The Third Stage: Verdoheme to Biliverdin
Kinetics of the Heme Oxygenase Reaction Sequence
Implications of Electrophilic Heme Oxidation by an Fe[superscript III]-OOH Intermediate / XIII.：
Heme Degradation in Plants and Bacteria / XIV.：
De Novo Design and Synthesis of Heme Proteins / Brian R. Gibney ; P. Leslie Dutton
Natural Protein Engineering
De Novo Heme Proteins
Physical/Electrochemical Studies of de Novo Designed Heme Proteins
Functional Aspects
Diversity-based approaches to selective biomimetic oxidation catalysis / 1：
Selective conversion of hydrocarbons with H2O2 using biomimetic non-heme iron and manganese oxidation catalysts / 2：
DNA oxidation by copper and manganese complexes / 3：
Ligand influences in copper-dioxygen complex-formation and substrate oxidations / 4：
Biomimetic oxidations by dinuclear and trinuclear copper complexes / 5：
Green oxidation of alcohols using biomimetic Cu complexes and Cu enzymes as catalysts / 6：
Synergy between Theory and Experiment as Applied to H/D Exchange Activity Assays in [Fe]H2ase Active Site Models
Electronic Structure and Spectroscopic
Properties of Molybdenum and Tungsten N2, NNH, NNH2 and NNH3
Complexes with Diphosphine Coligands: Insights into the End-On Terminal Reduction Pathway of Dinitrogen
Quantum Chemical Investigations into the Problem of Biological Nitrogen Fixation: Sellmann-Type Metal-Sulfur Model Complexes
Proton and Electron Transfers in [NiFe] Hydrogenase
Heterolytic Splitting of HH, SiH, and Other s Bonds on Electrophilic Metal Centers
Tetrapodal Pentadentate Nitrogen Ligands: Aspects of Complex Structure and Reactivity
Efficient, Ecologically Benign, Aerobic Oxidation of Alcohols
Visible Light Photocatalysis by a Titania Transition Metal Complex
Dioxygen Activation by Transition Metal Complexes
Atom Transfer and Free Radical Chemistry in Aqueous Media
Redox Reactivity of Coordinated Ligands in Pentacyano(L)ferrate Complexes
Carbonato Complexes: Models for Carbonic Anhydrase
Transition Metal Chemistry of Glucose Oxidase, Horseradish Peroxidase, and Related Enzymes
Properties of Transition Metal Complexes with Metal-Carbon Bonds in Aqueous Solutions as Studied by Pulse Radiolysis
Transition Metal Complexes with Bis(hydrazone) Ligands of 2,6-Diacetylpyridine. Hepta-Coordination of 3d Metals
Potential Applications for the Use of Lanthanide Complexes as Luminescent Biolabels
Preface
Tripodal Carbene and Aryloxide Ligands for Small-Molecule Activation at Electron-Rich Uranium and Transition Metal Centers / Karsten Meyer ; Suzanne C. Bart
Synthesis and Characterization of Ligand Precursors and Low-Valent Metal Complexes for Small-Molecule Activation / I：
Small-Molecule Activation / III：
[beta]-Cyclodextrin-Linked Ru Complexes for Oxidations and Reductions / W.-D. Woggon ; Alain Schlatter ; Hao WangIV：
Mimicking the Enzymatic Cleavage of Carotenoids
Hydrogen Transfer Reactions Catalyzed by Ruthenium Complexes Linked to [beta]-Cyclodextrin
Catalytic Dismutation vs. Reversible Binding of Superoxide / Ivana Ivanovic-Burmazovic
Catalytic Superoxide Dismutation by Seven-Coordinate Manganese and Iron Complexes as SOD Mimetics
Reversible Binding of Superoxide to Iron-Porphyrin Complex
Acknowledgment
Tripodal N,N,O-Ligands for Metalloenzyme Models and Organometallics / Nicolai Burzlaff
The '2-His-1-Carboxylate Facial Triad' in Non-Heme Iron Oxygenases
N,N,O-Ligands as Mimics for the '2-His-1-Carboxylate Facial Triad'
Structural Zinc Models
Homochiral Bis(pyrazol-1-yl)acetato Ligands
Bis(pyrazol-1-yl)acetato Ligands in Coordination Chemistry and Organometallics / V：
3,3-Bis(1-methylimidazol-2-yl)propionic Acid as N,N,O-Ligand / VI：
Immobilization of N,N,O Complexes / VII：
Acknowledgements / VIII：
Hydroxypyranones, Hydroxypyridinones, and their Complexes / John Burgess ; Maria Rangel
Ligands and Complexes - Synthesis and Structure
Solution Properties
Uses and Applications
Nomenclature and Abbreviations
Late Transition Metal-Oxo Compounds and Open-Framework Materials that Catalyze Aerobic Oxidations / Rui Cao ; Jong Woo Han ; Travis M. Anderson ; Daniel A. Hillesheim ; Kenneth I. Hardcastle ; Elena Slonkina ; Britt Hedman ; Keith O. Hodgson ; Martin L. Kirk|cDjamaladdin G. Musaev ; Keiji Morokuma ; Yurii V. Geletii ; Craig L. Hill
Late Transition Metal-Oxo (LTMO) Complexes
Open-Framework Materials that Catalyze Aerobic Oxidations
Acknowledgments
Inorganic and Bioinorganic Reaction Mechanisms: Application of High Pressure Techniques / R. Van Eldik ; C. Ducker-Benfer ; F. Thaler A. Roodt ; A. Abou-Hamdan ; H.P. Engelbrecht ; A.E. Merbach
Substitution Studies of Second and Third Row Transition Metal OXO Complexes / J.J. Cruywagen
Protonation, Oligomerization, and Condensation Reactions of Vanadate(V) Molybdate(V) and Tungstate(VI) / Z. Guo ; P.J. Sadler
Historical Reviews of X-Ray Science and Technology: The Early Years of X-Ray Diffraction and X-Ray Spectrometry / J.L. de Vries
Conditoning of X-Ray Beams and Other Developments in X-Ray Instrumentation: Application of Graded Multilayer Optics in X-Ray Diffraction / M. Schuster ; H. Gobel
Stress and Strain Determination by Diffraction Methods, Peak Broadening Analysis: Actual Tasks of Stress Analysis by Diffraction / V. Hauk
Characterization of Polymers, Amorphous Materials and Organics by X-Ray Neutron Scattering: Analysis of X-Ray Diffraction Scans of Poorly Crystallized Semicrystalline Polymers / N.S. Murthy
Precision, Accuracy in XRD, Phase Analysis: Results of X-Ray Powder Diffraction Round Robin Tests with Corundum Plates and Powder Samples / V. Valvoda, et al.
Characterization of Thin Films by X-Ray Diffraction and Fluorescence: Inhomogeneous Deformation in Thin Films / I.C. Noyan ; C.C. Goldsmith
Other Applications of X-Ray Diffractions Including High-Temperature and Nonambient: Total Reflection XRF and Trace Analysis: Quantitative ZRF Data Interpretation and Other XRF Applications
95 Additional Articles
Indexs
Historical Reviews of X-Ray Science and Technology: The Early Years of X-Ray Diffraction and X-Ray Spectrometry / J.L. de Vries
Conditoning of X-Ray Beams and Other Developments in X-Ray Instrumentation: Application of Graded Multilayer Optics in X-Ray Diffraction / M. Schuster ; H. Gobel
Stress and Strain Determination by Diffraction Methods, Peak Broadening Analysis: Actual Tasks of Stress Analysis by Diffraction / V. Hauk
Probing Orbital Symmetries and Ionization Dynamics of Simple Molecules With Femtosecond Laser Pulses / C. D. Lin ; X. M. Tong1：
Generalization and Application to Molecular Systems of Keldysh's Atomic Photoionization Theory / K. Mishima ; K. Nagaya ; M. Hayashi ; S. H. Lin ; E. W. Schlag2：
Ionization and Fragmentation of Some Organic Molecules with Intense Femtosecond Laser Pulses / Nobuaki Nakashima ; Tomoyuki Yatsuhashi ; Masanao Murakami ; Ryuji Mizoguchi ; Yoshinori Shimada3：
Nonlinear Optics for Characterizing XUV/Soft X-ray High-order Harmonic Fields in Attosecond Regime / Yasuo Nabekawa ; Katsumi Midorikawa
Introduction
Nonlinear phenomena in XUV/soft X-ray region for ultrafast optics / 1.1：
Autocorrelation measurement / 1.2：
Generation of Intense Harmonic Fields
Single atom response / 2.1：
Propagation of the harmonic fields with pumping laser field: Phase matching / 2.2：
Development of intense high-order harmonic generator / 2.3：
Two-Photon Double Ionization
Measurement of Attosecond Pulse Train with Two-Photon ATI / 4：
Interferometric Autocorrelation of APT with Two-Photon Coulomb Explosion / 5：
Similarity of APT with mode-locked laser pulses / 5.1：
Why do we need interferometric autocorrelation? / 5.2：
Two-photon Coulomb explosion / 5.3：
Interferometric autocorrelation / 5.4：
Summary and Prospects / 6：
Acknowledgements
References
Signatures of Molecular Structure and Dynamics in High-Order Harmonic Generation / Manfred Lein ; Ciprian C. Chirila
Theory of High-Order Harmonic Generation
Basic theory
Three-step model
The strong-field approximation
Odd and even harmonics / 2.4：
Influence of Molecular Structure on HHG
Ionization step / 3.1：
Recombination step / 3.2：
Dynamical Effects
Conclusions
Acknowledgments
Molecular Manipulation Techniques and Their Applications / Hirofumi Sakai
Theoretical Background
Molecular Orientation with Combined Electrostatic and Intense, Nonresonant Laser Fields
One-dimensional molecular orientation
Three-dimensional molecular orientation
Applications with a Sample of Aligned Molecules
Optimal control of multiphoton ionization processes in aligned I[subscript 2] molecules with time-dependent polarization pulses / 4.1：
High-order harmonic generation from aligned molecules / 4.2：
Summary and Outlook
Sum Frequency Generation: An Introduction with Recent Developments and Current Issues / Mary Jane Shultz
Electric Fields and Orientation Factors
Fresnel factors and propagation direction
Orientation factors
Simplification of the orientation tensor / 2.2.1：
Observed intensity
Molecular examples / 2.3.1：
Recent Developments
Absolute orientation determination with a reference
Orthogonal resonances
Null angle / 3.3：
Visible angle null, VAN / 3.3.1：
Polarization angle null, PAN / 3.3.2：
Connection with previous work / 3.3.3：
Example / 3.3.4：
Current Issues in Sum Frequency Generation
Interfacial optical constants and bulk contributions
Collective modes - a theoretical challenge
Probe depth / 4.3：
Nanoparticle SFG / 4.4：
Time resolution / 4.5：
Surface 2D imaging / 4.6：
Selected Results
Ions at aqueous surfaces: The case for surface H[subscript 3]O[superscript +]
Interactions at nanostructured interfaces
Summary
Appendix A
Tensor product / A.1：
Propagation and Intramolecular Coupling Effects in the Four-Wave Mixing Spectroscopy / Jose Luis PazA.2：
Four-Wave Mixing Spectroscopy
Study and characterization of FWM signal in the frequency space
Effects of solute concentration, field intensity, and spectral inhomogeneous broadening on FWM
Propagation effects
Topological studies for the FWM signal surfaces / 2.2.2：
Spectra in the frequency space / 2.2.3：
Approximation levels for the study of the propagation in FWM
Intramolecular Coupling
Molecular models
Theoretical characteristics of the model
Signal response
Results and discussion / 3.4：
Final Remarks
Control of Molecular Chirality by Lasers / Kunihito Hoki ; Yuichi Fujimura
Fundamental Issues in Laser Control of Molecular Chirality
Laser control of an ensemble of racemic mixtures
Photon polarizations of lasers
Density matrix treatment of a racemic mixture
Control Scenarios
Pump-dump control via an electronic excited state
Control of molecular chirality in a randomly oriented racemic mixture using three polarization components of electric fields
Stimulated Raman adiabatic passage method
Sequential pump-dump control of chirality transformation competing with photodissociation in an electronic excited state
Preface
Probing Orbital Symmetries and Ionization Dynamics of Simple Molecules With Femtosecond Laser Pulses / C. D. Lin ; X. M. Tong1：
Generalization and Application to Molecular Systems of Keldysh's Atomic Photoionization Theory / K. Mishima ; K. Nagaya ; M. Hayashi ; S. H. Lin ; E. W. Schlag2：
図書
雑誌
