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edited by I. Prigogine and Stuart A. Rice
出版情報: New York : Wiley , London : Interscience Publishers, 1958-  v. ; 24 cm
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Energy Landscapes: From Clusters to Biomolecules / David J. Wales ; Jonathan P. K. Doye ; Mark A. Miller ; Paul N. Mortenson ; Tiffany R. Walsh
Solid-Fluid Equilibrium: Insights from Simple Molecular Models / P. A. Monson ; D. A. Kofke
Irreversible Motion on Macroscopic and Molecular Timescales and Chemical Dynamics in Liquids / S. A. Adelman ; R. Ravi
Chemical Reactions and Reaction Efficiency in Compartmentalized Systems / John J. Kozak
Author Index
Subject Index
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
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
Infrared Lineshapes of Weak Hydrogen Bonds: Recent Quantum Developments / Y. Jung, et al.
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
Administrative Board of the International Solvay Institutes for Physics and Chemistry
Scientific Committee for Physics of the International Solvay Institutes for Physics and Chemistry
The Solvay Conferences on Physics
Preface
Opening Speech / J. Solvay
Introductory Remarks
Discrete Maps / Part 1:
Non-Markovian Effects in the Standard Map / R. Balescu
Thermodynamics of a Simple Hamiltonian Chaotic System / Hiroshi H. Hasegawa
Harmonic Analysis of Unstable Systems / I. Antoniou ; Z. Suchanecki
Properties of Permanent and Transient Chaos in Critical States / P. Szepfalusy
From Coupled Dynamical Systems to Biological Irreversibility / Kunihiko Kaneko
Transport and Diffusion / Part 2:
Irreversibility in Reversible Multibaker Maps--Transport and Fractal Distributions / S. Tasaki
Diffusion and the Poincare-Birkhoff Mapping of Chaotic Systems
Transport Theory for Collective Modes and Green-Kubo Formalism for Moderately Dense Gases / T. Petrosky
New Kinetic Laws of Cluster Formation in N-Body Hamiltonian Systems / Y. Aizawa
Quantum Theory, Measurement, and Decoherence / Part 3:
Quantum Phenomena of Single Atoms / H. Walther
Quantum Superpositions and Decoherence: How to Detect Interference of Macroscopically Distinct Optical States / F. T. Arecchi ; A. Montina
Quantum Decoherence and the Glauber Dynamics from the Stochastic Limit / L. Accardi ; S. V. Kozyrev
CP Violation as Antieigenvector-Breaking / K. Gustafson
Extension of Quantum Theory and Field Theory / Part 4:
Dynamics of Correlations. A Formalism for Both Integrable and Nonintegrable Dynamical Systems / I. Prigogine
Generalized Quantum Field Theory / E. C. G. Sudarshan ; Luis J. Boya
Age and Age Fluctuations in an Unstable Quantum System / G. Ordonez ; E. Karpov
Microphysical Irreversibility and Time Asymmetric Quantum Mechanics / A. Bohm
Possible Origins of Quantum Fluctuation Given by Alternative Quantization Rules / Mikio Namiki
Morphology of Surfaces in Mesoscopic Polymers, Surfactants, Electrons, or Reaction--Diffusion Systems: Methods, Simulations, and Measurements / S. H. Lin ; C. H. Chang ; K. K. Liang ; R. Chang ; J. M. Zhang ; T.-S. Yang ; M. Hayashi ; Y. J. Shiu ; F. C. Hsu ; Aleksij Aksimentiev ; Marcin Fialkowski ; Robert Holyst
Two-Center Effects in Ionization by Ion-Impact in Heavy-Particle Collisions / Olivier Henri-Rousseau ; Paul Blaise ; Didier Chamma ; S. F. C. O'Rourke ; D. M. McSherry ; D. S. F. Crothers
Evolution Times of Probability Distributions and Averages--Exact Solutions of the Kramers' Problem
The Decoupling of Electronic and Nuclear Motions in the Isolated Molecule Schrodinger Hamiltonian / Brian Sutcliffe
Association, Dissociation, and the Acceleration and Suppression of Reactions by Laser Pulses / Moshe Shapiro
Vibrational Energy Flow: A State Space Approach / M. Gruebele
Discrete-Variable Representations and Their Utilization / John C. Light ; Tucker Carrington, Jr.
Above and Below the Wannier Threshold / Arlene M. Loughan
Unified Theory of Photochemical Charge Separation
An Introduction to the Monte Carlo Method for Particle Simulations / J. Siepmann
Random Number Generators for Parallel Applications / A. Srinivasan, et al.
Between Classical and Quantum Monte Carlo Methods: "Variational" QMC / D. Bressanini ; P. Reynolds
Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Methods / M. Nightingale ; C. Umrigar
Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties / R. Topper
Monte Carlo Sampling for Classical
The Infrared Spectral Density of Weak Hydrogen Bonds Within the Linear Response Theory
An Effective Hamiltonian to Treat Adiabatic and Nonadiabatic Effects in the Rotational and Vibrational Spectra of Diatomic Molecules / R. M. Herman ; J. F. Ogilvie
The Role of the Stokes Phenomenon in Nonadiabatic Transitions / B. S. Nesbitt
Finite Integral Representation of Characteristic Times of Orientational Relaxation Processes: Application to the Uniform Bias Force Effect in Relaxation in Bistable Potentials / William Coffey
Lattice Cluster Theory of Multicomponent Polymer Systems: Chain Semiflexibility and Specific Interactions / K. W. Foreman ; Karl F. Freed
Interplay Between Ultrafast Polar Solvation and Vibrational Dynamics in Electron Transfer Reactions: Role of High-Frequency Vibrational Modes / Biman Bagchi ; N. Gayathri
Solvent Control of Electron Transfer Reactions / Fernando O. Raineri ; Harold L. Friedman
Theoretical and Experimental Study of Ultrafast Solvation Dynamics by Transient Four-Photon Spectroscopy / B. D. Fainberg ; D. Huppert
Coherence and Adiabaticity in Ultrafast Electron Transfer / Klaas Wynne ; Robin M. Hochstrasser
Electron Transfer and Solvent Dynamics in Two- and Three-State Systems / Minhaeng Cho ; Graham R. Fleming
Ultrafast Intermolecular Electron Transfer in Solution / Keitaro Yoshihara
Electron Transfer in Molecules and Molecular Wires: Geometry Dependence, Coherent transfer, and Control / V. Mujica ; A. Nitzan ; Y. Mao ; W. Davis ; M. Kemp ; A. Roitberg ; M. A. Ratner
Electron Transfer and Exciplex Chemistry / Noboru Mataga ; Hiroshi Miyasaka
Electron-Transfer Tubes / J. J. Regan ; J. N. Onuchic
Copper Proteins and Model Systems for Investigating Intramolecular Electron Transfer Processes / Ole Farver ; Israel Pecht
Applying Marcus's Theory to Electron Transfer In Vivo / George McLendon ; Sonja Komar-Panicucci ; Shelby Hatch
Solvent-Fluctuation Control of Solution Reactions and Its Manifestation in Protein Functions / Hitoshi Sumi
Experimental Electron Transfer Kinetics in a DNA Environment / Paul F. Barbara ; Eric J. J. Olson
Electron Transfer Past and Future / R. A. Marcus
Electron Transfer Reactions in Solution: A Historical Perspective / Norman Sutin
Electron Transfer--From Isolated Molecules to Biomolecules / M. Bixon ; Joshua Jortner
Charge Transfer in Bichromophoric Molecules in the Gas Phase / Donald H. Levy
Long-Range Charge Separation in Solvent-Free Donor-Bridge-Acceptor Systems / Bas Wegewijs ; Jan W. Verhoeven
Electron Transfer and Charge Separation in Clusters / Caroline E. H. Dessent ; Israela Becker ; Mark A. Johnson ; Ori Cheshnovsky
Control of Electron Transfer Kinetics: Models for Medium Reorganization and Donor-Acceptor Coupling / Marshall D. Newton
Theories of Structure-Function Relationships for Bridge-Mediated Electron Transfer Reactions / Spiros S. Skourtis ; David N. Beratan
Fluctuations and Coherence in Long-Range and Multicenter Electron Transfer / Gitte Iversen ; Yuris I. Kharkats ; Aleksandr M. Kuznetsov ; Jens Ulstrup
Lanczos Algorithm for Electron Transfer Rates in Solvents with Complex Spectral Densities / Akira Okada ; Vladimir Chernyak ; Shaul Mukamel
Spectroscopic Determination of Electron Transfer Barriers and Rate Constants / Kristin M. Omberg ; Pingyun Chen ; Thomas J. Meyer
Photoinduced Electron Transfer within Donor-Spacer-Acceptor Molecular Assemblies Studied by Time-Resolved Microwave Conductivity / John M. Warman ; Matthijs P. De Haas ; Michael N. Paddon-Row
From Close Contact to Long-Range Intramolecular Electron Transfer
Photoinduced Electron Transfers Through [sigma] Bonds in Solution / Nien-Chu C. Yang ; Song-Lei Zhang ; Matthew J. Lang ; Steven Goodman ; Christopher Durnell ; G. R. Fleming ; H. L. Carrell ; R. Michael Garavito
Molecular Vibration and Nonlinear Optics / David M. Bishop
Local Mode Vibrations in Polyatomic Molecules / Lauri Halonen
Wideband Measurement and Analysis Techniques for the Determination of the Frequency-Dependent, Complex Susceptibility of Magnetic Fluids / P. C. Fannin
Series Introduction
General Introduction / I.:
The Forward Trip: From the Hamiltonian to the Vibration-Rotation Spectrum / II.:
Introduction / A.:
The Forward Trip: An Ab Initio Approach / B.:
Exact Quantum Mechanical Formulation / 1.:
Full Molecular Hamiltonian / a.:
Born-Oppenheimer Separation / b.:
Translation-Free Hamiltonian / c.:
Vibration-Rotation Separation / d.:
Molecular Axis System (Mas)
Rotation Coordinates / 2.:
Eckart Frame / 3.:
Vibration Coordinates / 4.:
Exact Vibration-Rotation Hamiltonian / e.:
Vibration-Rotation Kinetic Energy Operator
Potential-Energy Surface
Exact Vibration-Rotation Schrodinger Equation
Variational Resolution of the Vibration-Rotation Schrodinger equation / f.:
Variational Principle
Linear Variational Method
Configuration Interaction Method
Diagonalisation of the Vibration-Rotation Hamiltonian
Energy Spectrum of the Vibration-Rotation Hamiltonian / 5.:
Vibration-Rotation Transition Energies / 6.:
Vibration-Rotation Lines Intensities / g.:
Optical Vibration-Rotation Transition Probabilities
Electric Dipole Transition Probabilities
Dipole Moment Surface
Full Ab Initio Forward Trip / h.:
Towards a Converged Ab Initio Approach
Setting the Ab Initio Approach
Need for a PES
General Problems with PES and DMS
Choice of a Coordinate System
Criteria
Rectilinear Versus Curvilinear Coordinates
Selected Curvilinear Coordinates
Curvilinear Bond-Angle Coordinates
Local-Mode Coordinates
Heliocentric-Type Coordinates
Adapted Stretching Coordinates
Potential-Adapted Coordinates
Adapted Bending Coordinates
Optimised Coordinates / 7.:
Curvilinear Normal Coordinates / 8.:
Transformation of Coordinates / 9.:
Approximate PES from Quantum Chemistry
Ab Initio Level of Calculation
Analytical Expression for the PES
Adjustment of an Analytical Function to Ab Initio Calculated Points
Analytical Versus Numerical Derivatives Calculations
Ab Initio DVR Approach
Ab initio Electric Dipole Moment Surfaces
Variational Methods
Contraction or Diagonalization-Truncation
General Mean-Field Optimizations
The Vibrational Multiconfigurational Scf Method
Discrete-Variable Representation (DVR)
Adiabatic Approaches
Morse Oscillator Rigid Bender Internal Dynamics (Morbid) Approach
Perturbation Theory Methods
Basic Formulas
Treatment of Resonating States
High Order Canonical van Vleck Perturbation Theory (CVPT)
Acetylene: A Laboratory for Intramolecular Advances / C.:
The Acetylene Molecule
Both Simple and Complex
Symmetry Properties
Topology of the Ground-State PES
Calculated Properties
Coordinate Systems
9D Systems
6D Systems
Symmetry-Adapted Coordinates
Rectilinear Normal Coordinates
Planar 5D Systems
Vibration-Rotation Hamiltonian for Acetylene
Choice of A Coordinate System
Kinetic-Energy Operator
Forward and Backward Trips Applied to Acetylene
Refined Quartic Force Fields in Valence Internal Coordinates
Refinement from Second-Order Perturbation Theory: The Strey-Mills Potential
Variational Calculations with A Modified Sm Potential
Sixth-Order CVPT with the Sm Potential
Refinement from Variational Calculations: the Bramley-Carter-Handy-Mills Potential
Variational Calculations with the BCHM Potential
Ab initio Quartic Force Fields
SCF Quartic Force Field from Analytical Derivatives
SD(Q)CI Quartic Force Field and Sdci Cubic Electric Field from Grid Calculations
Testing the Quality of the SDCI and SD(Q)CI Force Fields
Overtone Spectrum of Stretching Modes
Analysis of Stretch-Bend Interactions from the Vcasscf Approach
CCSD(T) Quartic Force Field from Numerical Differences
Bending Dynamics
DVR Variational Calculations
Adiabatic Variational Refinement
Classical and Semiclassical Approaches of Intramolecular Dynamics
Classical Trajectories
Semiclassical Approach
Normal, Local, and Precessional Bending Modes
Algebraic Approaches
The Backward Trip: From the Vibration-Rotation Data to the Hamiltonian / III.:
Strategy
Aim
Selection of Coordinates
Matrix Image of the Molecule
Matrix Treatment
Watsonian
General Form
Fractionation
Vibrational Terms
Basic Features
Diagonal Terms
The Harmonic Oscillator
The Anharmonic Oscillator
One Dimensional Dunham Expansion
Multidimensional Dunham Expansion
Off-Diagonal Terms
Anharmonic Resonances
Terminology
Matrix Elements
Bright and Dark States
Quartic Resonances
Detailed Content
x-K Relations
Unusual Quartic Resonances
Linear Tops
General Features
Harmonic Contributions
l Sublevels
Diagonal Anharmonic Terms
l Resonance
Anharmonic and l Resonances
Level Clustering
Vibrational Polyads
One-Resonance Polyads
Multiresonance Polyads
Pseudo-Quantum Numbers
Constants of the Motion
General Procedure
Examples
Nitrous Oxide
Band Intensities
Acetylene
Cluster Structure
Parameters
[superscript 12]C[subscript 2]D[subscript 2]
Ethylene
Giant Clusters
V/l-Clusters
Quantum Numbers
Spectra
V/l/C-Clusters
Vibration-Rotation Terms / D.:
General Picture
Rigid Rotor Hamiltonian
Symmetric Tops
Asymmetric Tops
l Doubling
e/f Levels
Vibration-Rotation Hamiltonian
Diatomic Species
Linear Polyatomic Species
Coriolis Coupling
Vibration-Rotation Fits in Acetylene
MIME for Lower Bending Levels in
Vibration-Rotation Wavefunctions in
Lower-Energy Bending Energy Levels
Fundamental Ch Stretching Vibration, V[subscript 3]
Lower Bending Levels in [superscript 12]C[subscript 2]D[subscript 2]
Rotational Constants in [superscript 12]C[subscript 2]H[subscript 2] Overtone Levels
Molecular Vibration-Rotation Spectra / E.:
Spectral Intensity
Transition Probabilities
Light Absorption
Absorption Induced by Electric Dipole Interactions
Absorption Coefficient: Beer's Law
Absorption Line Shape
Line Intensity
Population Factors
Thermal Distribution Over the Energy Levels
Total Internal Partition Function
Degeneracy of the Levels
Statistical Weight of the Rovibronic Levels
Integrated Absorption Coefficient and Cross Section
Emission
Dipole Moment Matrix Elements for Vibration-Rotation Transitions
Molecular Symmetry
Vibrational Spectra
Harmonic Selection Rules
Non Degenerate Vibrations
Degenerate Vibrations
Vibrational Bands in the Harmonic Oscillator Approximation
Application to Linear Molecules
Vibrational Bands for the Anharmonic Oscillator
Influence of Mechanical Anharmonicity
Resonances and Intensity Borrowing
Vibration-Rotation Spectra
Rigid Rotor Selection Rules
Vibration-Rotation Transitions
Symmetric Top
Asymmetric Top
Linear Molecule
Vibration-Rotation Interaction
The Effective Dipole Moment Operator
Influence of Vibration-Rotation Resonances on Intensities
Herman-Wallis Effects in Linear Molecules
Experimental Overtone Spectroscopy / IV.:
Fourier Transform Spectroscopy (FTS)
Overtone Spectroscopy Using FTS
Laser Overtone Spectroscopy
Frequency Modulation with Diode Lasers (FMDL)
Method
Application of FMDL to Spectroscopy
Cavity Ringdown Spectroscopy (CRDS)
Pulsed CRDS
CW-CRDS
Capabilities of CRDS
Spectroscopy
Diagnostics
Intracavity Laser Absorption Spectroscopy (ICLAS)
Principles
Sensitivity Limitations
Seeding Noise
Spectral Resolution and Calibration
Capabilities of ICLAS
Overtone Spectroscopy
Optoacoustic (OA) Spectroscopy
Basic Principles
Application to Overtone Spectroscopy
Optothermal (OT) Spectroscopy
Comparison of FMDL, CRDS, ICLAS, and OA Methods
Other Laser Investigations of Vibration-Rotation Levels
Laser Labelling
Photofragment Spectroscopy
Stimulated Emission Pumping and Dispersed Fluorescence
Acknowledgments
References
Abbreviations and Symbols / Appendix A.:
Bibliography on acetylene in the ground electronic state / Appendix B.:
Vibrational Energy Levels of [superscript 12]C[subscript 2]H[subscript 2][characters not reproducible] / Appendix C.:
On the Theory of the Complex, Frequency-Dependent Susceptibility of Magnetic Fluids / B. K. P. Scaife
Simulating Molecular Properties of Liquid Crystals / J. Crain ; A. V. Komolkin
Molecular-Based Modeling of Water and Aqueous Solutions at Supercritical Conditions / Ariel A. Chialvo ; Peter T. Cummings
Polar and Nonpolar Solvation Dynamics, Ion Diffusion, and Vibration Relaxation: Role of Biphasic Solvent Response in Chemical Dynamics / Ranjit Biswas
Spatial Patterns and Spatiotemporal Dynamics in Chemical Systems / A. De Wit
The Liouville Space Extension of Quantum Mechanics
Unstable Systems in Generalized Quantum Theory / E. Sudarshan, et al.
Resonances and Dilation Analyticity in Liouville Space / E. Bandas
Time, Irreversibility and Unstable Systems in Quantum Physics / E. Eisenberg ; L. Horwitz
Quantum Systems with Diagonal Singularity
Nonadiabatic Crossing of Decaying Levels / V. Kocharovsky, et al.
Can We Observe Microscopic Chaos in the Laboratory? / P. Gaspard
Proton Nonlocality and Decoherence in Condensed Matter-Predictions and Experimental Results
Kinetics and Dynamics of Hydrogen Adsorption and Desorption on Silicon Surfaces / D. Doren?
Potential Energy Surfaces of Transition-Metal-Catalyzed Chemical Reactions / D. Musaev ; K. Morokuma?
High-Resolution Helium Atom Scattering as a Probe of Surface Vibrations / S. Safron?
Ordering and Phase Transitions in Adsorbed Monolayers of Diatomic Molecules / D. Marx ; H. Wiechert?
Molecular Engineering for Ferroelectricity in Liquid Crystals / Daniel Guillon
Large Electroclinic Effect and Associated Properties of Chiral Smectic A Liquid Crystals / R. Shashidhar ; J. Naciri ; B. R. Ratna
Pyroelectric Studies of Polar and Ferroelectric Mesophases / L. M. Blinov
Ferroelectric LC-Elastomers / Rudolph Zentel ; Elisabeth Gebhard ; Martin Brehmer
Structure, Mobility, and Piezoelectricity in Ferroelectric Liquid Crystalline Elastomers / F. Kremer ; H. Skupin ; W. Lehmann ; L. Hartmann ; P. Stein ; H. Finkelmann
Orientational Effects in Ferroelectric and Antiferroelectric Liquid Crystals Using Infared Spectroscopy / A. Kocot ; J. K. Vij ; T. S. Perova
The Structure and Properties of Antiferroelectric Liquid Crystals / Yu. P. Panarin
Order Parameter Variation in Smectic Liquid Crystals / Steve J. Elston ; Nigel J. Mottram
Structure and Orientation of Molecules in Discotic Liquid Crystals Using Infrared Spectroscopy
Rotational Diffusion and Dielectric Relaxation in Nematic Liquid Crystals / William T. Coffey ; Yuri P. Kalmykov
The Matching Method for Asymptotic Solutions in Chemical Physics Problems / A. Il'in, et al.
Singularly Perturbed Problems with Boundary and Interior Layers: Theory and Application / V. Butuzov ; A. Vasilieva
Numerical Methods for Singularly Perturbed Boundary Value Problems Modeling Diffusion Processes / V. Kolmogorov ; G. Shishkin
Quantum Monte Carlo Methods in Chemistry / D. Ceperley ; L. Mitas
Monte Carlo Methods for Real-Time Path Integration / C. Mak ; R. Egger
The Redfield Equation in Condensed-Phase Quantum Dynamics / W. Pollard, et al.
Path-Integral Centroid Methods in Quantum Statistical Mechanics and Dynamics / G. Voth
Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy / B. Roos, et al.
Electronic Structure Calculations for Molecules Containing Transition Metals / P. Siegbahn
The Interface Between Electronic Structure Theory and Reaction Dynamics by Reaction Path Methods / M. Collins
Algebraic Models in Molecular Spectroscopy / S. Oss
Tight-Binding Molecular Dynamics Studies of Covalent Systems / C. Wang ; K. Ho
Perspectives on Semiempirical Molecular Orbital Theory / W. Thiel
Theory of Polyelectrolyte Solutions / J.-L. Barrat ; J.-F. Joanny
Star Polymers: Experiment, Theory, and Simulation / G. Grest, et al.
Tethered Polymer Layers / I. Szleifer ; M. Carignano
Living Polymers / S. Greer
Transport and Kinetics in Electroactive Polymers / M. Lyons
Polymers in Disordered Media / A. Baumgartner
Early Perspectives on Geometric Phase / Ron Elber ; Alfredo Cardenas ; Avijit Ghosh ; Harry A. Stern ; Sergey V. Titov ; Martin H. Muser ; Michael Urbakh ; Mark O. Robbins ; M. S. Child
The Electronic Non-Adiabatic Coupling Term in Molecular Systems: A Theoretical Approach / Michael Baer
Non-Adiabatic Effects in Chemical Reactions: Extended Born-Oppenheimer Equations and Its Applications / Satrajit Adhikari ; Gert Due Billing
Complex States of Simple Molecular Systems / R. Englman ; A. Yahalom
Quantum Reaction Dynamics for Multiple Electronic States / Aron Kuppermann ; Ravinder Abrol
Electron Nuclear Dynamics / Yngve Ohrn ; Erik Deumens
Applying Direct Molecular Dynamics to Non-Adiabatic Systems / G. A. Worth ; M. A. Robb
Conical Intersections in Molecular Photochemistry: The Phase-Change Approach / Yehuda Haas ; Shmuel Zilberg
The Crude Born-Oppenheimer Adiabatic Approximation of Molecular Potential Energies / J. C. Jiang ; V. V. Kislov ; A. M. Mebel
Conical Intersections and the Spin-Orbit Interaction / Spiridoula Matsika ; David R. Yarkony
Renner-Teller Effect and Spin-Orbit Coupling in Triatomic and Tetraatomic Molecules / Miljenko Peric ; Sigrid D. Peyerimhoff
Permutational Symmetry and the Role of Nuclear Spin in the Vibrational Spectra of Molecules in Doubly Degenerate Electronic States: The Trimers of [superscript 2]S Atoms / A. J. C. Varandas ; Z. R. Xu
Time-resolved X-Ray Diffraction From Liquids
Nonequilibrium Fluctuations in Small Systems: From Physics to biology / Felix Ritort
Generalized Entropy Theory of Polymer Glass Formation / Jacek Dudowicz ; Jack F. Douglas
The Second Law Of Nonequilibrium Thermodynamics: How Fast Time Flies / Phil Attard
Multiparticle Collision Dynamics: Simulation Of Complex Systems On Mesoscales / Raymond Kapral
Two-Pathway Excitation As A Coherence Spectroscopy / Tamar Seideman ; Robert J. Gordon
Time-Dependent Transition State Theory / Thomas Bartsch ; Jeremy M. Moix ; Rigoberto Hernandez ; Shinnosuke Kawai ; T. Uzer
Electronic Structure Reference Calculations For Designing And Interpreting P And T Violation Experiments / Malaya K. Nayak ; Rajat K. Chaudhuri
Hydrogen Bond Dynamics In Alcohol Clusters / Martin A. Suhm
Vibrational Line Shapes, Spectral Diffusion, and Hydrogen Bonding in Liquid Water / James L. Skinner ; Benjamin M. Auer ; Yu-Shan Lin
Computational Models of Metabolism: Stability and Regulation in Metabolic Networks / Ralf Steuer ; Björn H. Junker
New Advances in Mid-Ir Pulse Shaping and Its Application to 2d Ir Spectroscopy and Ground-State Coherent Control / David B. Strasfeld ; Sang-Hee Shim ; Martin T. Zanni
Local Control Theory: Recent Applications to Energy and Particle Transfer Processes in Molecules / Volker Engel ; Christoph Meier ; David J. Tannor
Dynamics of Double Photoionization in Molecules and Atoms / John H. D. Eland
The Electrified Liquid-Liquid Interface / R. A. W. Dryfe
The Physics of Ultrathin Solid-Fluid-Solid Films: From Surface Instabilities to Isolated Pockets of Fluid / Gavin A. Buxton ; Nigel Clarke
Dynamics of Thermotropic Liquid Crystals Across The Isotropic-Nematic Transition and Their Similarity with Glassy Relaxation in Supercooled Liquids / Dwaipayan Chakrabarti
Complex Permittivity of Ice Ih and of Liquid Water in Far Infrared: Unified Analytical Theory / Vladimir I. Gaiduk (deceased) ; Derrick S. F. Crothers
Nonbonded Interactions In Rubber Elasticity / Aaron Weiner ; Jerome Weiner
Multiple Amorphous-Amorphous Transitions / Thomas Loerting ; Vadim V. Brazhkin ; Tetsuya Morishita
Hydration Dynamics And Coupled Water-Protein Fluctuations Probed By Intrinsic Tryptophan / Dongping Zhong
Hydrogen-Bond Topology and Proton Ordering in Ice and Water Clusters / Sherwin J. Singer ; Chris Knight
Molecular Inner-Shell Spectroscopy. Arpis Technique and its Applications / Eiji Shigemasa ; Nobuhiro Kosugi
Geometric Optimal Control of Simple Quantum Systems / Dominique Sugny
Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets / D. A. Garanin
A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging / Jennie Cooke
Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic Systems / Kopin Liu
The Multiscale Coarse-Graining Method / Lanyuan Lu ; Gregory A. Voth
Molecular Solvation Dynamics from Inelastic X-Ray Scattering Measurements / R. H. Coridan ; G. C. L. Wong
Polymers Under Confinement
Computational Studies of the Properties of DNA-Linked Nanomaterials / One-Sun Lee ; George C. Schatz
Nanopores: Single-Molecule Sensors of Nucleic Acid-Based Complexes / Amit Meller
Multidimensional Incoherent Time-Resolved Spectroscopy and Complex Kinetics / Mark A. Berg
Complex Multiconfigurational Self-Consistent Field-Based Methods to Investigate Electron-Atom/Molecule Scattering Resonances / Kousik Samanta ; Danny L. Yeager
Determination of Molecular Orientational Correlations in Disordered Systems from Diffraction Data / Szilvia Pothoczki ; László Temleitner ; László Pusztai
Recent Advances in Studying Mechanical Properties of DNA / Reza Vafabakhsh ; Kyung Suk Lee ; Taekjip Ha
Viscoelastic Subdiffusion: Generalized Langevin Equation Approach / Igor Goychuk
Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics / Xiongwu Wu ; Ana Damjanovic ; Bernard R. Brooks
Energy Landscapes: From Clusters to Biomolecules / David J. Wales ; Jonathan P. K. Doye ; Mark A. Miller ; Paul N. Mortenson ; Tiffany R. Walsh
Solid-Fluid Equilibrium: Insights from Simple Molecular Models / P. A. Monson ; D. A. Kofke
Irreversible Motion on Macroscopic and Molecular Timescales and Chemical Dynamics in Liquids / S. A. Adelman ; R. Ravi
2.

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edited by David Glick
出版情報: New York : John Wiley & Sons, c1954-  v. ; 24 cm
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目次情報: 続きを見る
Activator Proteins for Lysosomal Glycolipid Hydrolases / E. Conzelmann ; K. Sandhoff
Isolation and Analysis of Cell Walls from Plant Material / R. R. Selvendran ; M. A Neill
Electro-Optical Reflection Methods for Studying Bioactive Substances at Electrode-Solution Interfaces-An Approach to Biosurface Behavior / K. Takamura ; F. Kusu
Isoelectric Focusing in Immobilized pH Gradients: Theory and Newer Technology / P. G. Righetti ; E. Gianazza
Assays for Superoxide Dismutase / J. V. Bannister ; L. Calabrese
The Radiation Inactivation Method as a Tool to Study Structure-Function Relationships in Proteins / G. Beauregard ; A. Maret ; R. Salvayre ; M. Potier
Immunoassay with Electrochemical Detection / W. R. Heineman et al.
Index
Activator Proteins for Lysosomal Glycolipid Hydrolases / E. Conzelmann ; K. Sandhoff
Isolation and Analysis of Cell Walls from Plant Material / R. R. Selvendran ; M. A Neill
Electro-Optical Reflection Methods for Studying Bioactive Substances at Electrode-Solution Interfaces-An Approach to Biosurface Behavior / K. Takamura ; F. Kusu
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