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Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Pubbl/distr/stampa Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Descrizione fisica 1 online resource (544 p.)
Disciplina 539.12
541.224
Altri autori (Persone) MaroulisGeorge
Soggetto topico Nonlinear optics
Soggetto genere / forma Electronic books.
ISBN 6613556378
1-280-37846-8
9786613556370
1-60750-742-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Title Page; About the Editors; Contents; Memories to Stanislaw Kielich: My Teacher, My Mentor and My Friend; Stanislaw Kielich - A Personal Memoir; My Memories of Stanislaw Kielich; To the Memory of Stanislas Kielich; Working with Professor Stanislaw Kielich; On the Quantization of the Potential Amplitude in the Schrodinger Equation; Irreducible Spherical Representation of some Fourth-Rank Tensors; Theoretical Study of the Electronic Structure of the Alkaline Earth BeLi2+ ion; Exploring NLO Response of 9,10-Donor-Acceptor Substituted Bichromophoric Anthracene Derivatives
Asymptotic Model of Exchange Interactions for Polarizability Calculation of van der Waals Complexes Anomalous Diffusion in Dielectric Relaxation of Polyelectrolytes; Isophlorin Derivatives: Structures and Materials for n-Channel Organic Semiconductors; Enhanced First Hyperpolarizability of Donor-Acceptor Diethynylsilane Oligomers; Sum Frequency Generation in Chiral Carbon Nanotubes; Gaussian Basis Sets for Ab Initio Calculation of NLO Properties of Polyatomic Molecules; Quadrupole Polarizabilities of the Rare-Gas Homonuclear Diatoms and Methane Molecules
Sudden Birth and Sudden Death of Entanglement Two-photon-Excitation Fluorescence Depolarization in Solutions and Nano-Scale-Organized (Macro)Molecular Media: Application of the Wide-Angular Detection-Aperture Technique; Molecular Dynamics Calculation of Infra-Red Spectra of Ultra-Dispersed Atmospheric Moisture; Linear Dielectric Relaxation of Dipolar, Rigid, Non-Interacting and Asymmetric-Top Molecules in Smoluchowski-Debye Approach; Intermolecular Covalent Interaction: 20-Center-2-Electron Covalent pi/pi Bonding in Tetrathiafulvalene Radical-Cation Dimer TTF.+-TTF.+
The Anisotropic Polarizability of Pairs of Hydrogen Molecules and the Depolarized Collision-Induced Roto-Translational Raman Light Scattering Spectra Stimulated Thermal Scattering Induced by Two-Photon Absorption and Experimental Observation of Genuine Stimulated Brillouin Scattering in the Near-Ultraviolet Region; Modulation of Stimulated Brillouin Scattering and Stimulated Temperature Scattering Spectral Components by two-Photon Heating; Exciting Field Phase Effect on the Entanglement Death and Birth Phenomena for Nonlinear Coupler System
Temperature Effect on the Optical Spectra of Iron (III) Metal Complexes Exhibiting Spin Crossover and Potential Nonlinear Optical Properties Dynamics of Collapse of Optical Pulses in Kerr Medium; Elongation-CIS Method: Describing Excited States of Large Molecular Systems in Regionally Localized Molecular Orbital Basis; On Magnet c Field of Ring Current; Nonlinear Optical Properties of Solvated Molecules; Paradoxes of Measures of Quantum Entanglement and Bell's Inequality Violation in Two-Qubit Systems
Comparative Study between ONIOM, Ab Initio and DFT Methods, Application: alpha and beta L-Fucopyranose
Record Nr. UNINA-9910461847103321
Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Pubbl/distr/stampa Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Descrizione fisica 1 online resource (544 p.)
Disciplina 539.12
541.224
Altri autori (Persone) MaroulisGeorge
Soggetto topico Nonlinear optics
ISBN 6613556378
1-280-37846-8
9786613556370
1-60750-742-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Title Page; About the Editors; Contents; Memories to Stanislaw Kielich: My Teacher, My Mentor and My Friend; Stanislaw Kielich - A Personal Memoir; My Memories of Stanislaw Kielich; To the Memory of Stanislas Kielich; Working with Professor Stanislaw Kielich; On the Quantization of the Potential Amplitude in the Schrodinger Equation; Irreducible Spherical Representation of some Fourth-Rank Tensors; Theoretical Study of the Electronic Structure of the Alkaline Earth BeLi2+ ion; Exploring NLO Response of 9,10-Donor-Acceptor Substituted Bichromophoric Anthracene Derivatives
Asymptotic Model of Exchange Interactions for Polarizability Calculation of van der Waals Complexes Anomalous Diffusion in Dielectric Relaxation of Polyelectrolytes; Isophlorin Derivatives: Structures and Materials for n-Channel Organic Semiconductors; Enhanced First Hyperpolarizability of Donor-Acceptor Diethynylsilane Oligomers; Sum Frequency Generation in Chiral Carbon Nanotubes; Gaussian Basis Sets for Ab Initio Calculation of NLO Properties of Polyatomic Molecules; Quadrupole Polarizabilities of the Rare-Gas Homonuclear Diatoms and Methane Molecules
Sudden Birth and Sudden Death of Entanglement Two-photon-Excitation Fluorescence Depolarization in Solutions and Nano-Scale-Organized (Macro)Molecular Media: Application of the Wide-Angular Detection-Aperture Technique; Molecular Dynamics Calculation of Infra-Red Spectra of Ultra-Dispersed Atmospheric Moisture; Linear Dielectric Relaxation of Dipolar, Rigid, Non-Interacting and Asymmetric-Top Molecules in Smoluchowski-Debye Approach; Intermolecular Covalent Interaction: 20-Center-2-Electron Covalent pi/pi Bonding in Tetrathiafulvalene Radical-Cation Dimer TTF.+-TTF.+
The Anisotropic Polarizability of Pairs of Hydrogen Molecules and the Depolarized Collision-Induced Roto-Translational Raman Light Scattering Spectra Stimulated Thermal Scattering Induced by Two-Photon Absorption and Experimental Observation of Genuine Stimulated Brillouin Scattering in the Near-Ultraviolet Region; Modulation of Stimulated Brillouin Scattering and Stimulated Temperature Scattering Spectral Components by two-Photon Heating; Exciting Field Phase Effect on the Entanglement Death and Birth Phenomena for Nonlinear Coupler System
Temperature Effect on the Optical Spectra of Iron (III) Metal Complexes Exhibiting Spin Crossover and Potential Nonlinear Optical Properties Dynamics of Collapse of Optical Pulses in Kerr Medium; Elongation-CIS Method: Describing Excited States of Large Molecular Systems in Regionally Localized Molecular Orbital Basis; On Magnet c Field of Ring Current; Nonlinear Optical Properties of Solvated Molecules; Paradoxes of Measures of Quantum Entanglement and Bell's Inequality Violation in Two-Qubit Systems
Comparative Study between ONIOM, Ab Initio and DFT Methods, Application: alpha and beta L-Fucopyranose
Record Nr. UNINA-9910789939003321
Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Atomic and molecular nonlinear optics [[electronic resource] ] : theory, experiment and computation : a homage to the pioneering work of Stanisław Kielich (1925-1993) / / edited by George Maroulis ... [et al.]
Edizione [1st ed.]
Pubbl/distr/stampa Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Descrizione fisica 1 online resource (544 p.)
Disciplina 539.12
541.224
Altri autori (Persone) MaroulisGeorge
Soggetto topico Nonlinear optics
ISBN 6613556378
1-280-37846-8
9786613556370
1-60750-742-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Title Page; About the Editors; Contents; Memories to Stanislaw Kielich: My Teacher, My Mentor and My Friend; Stanislaw Kielich - A Personal Memoir; My Memories of Stanislaw Kielich; To the Memory of Stanislas Kielich; Working with Professor Stanislaw Kielich; On the Quantization of the Potential Amplitude in the Schrodinger Equation; Irreducible Spherical Representation of some Fourth-Rank Tensors; Theoretical Study of the Electronic Structure of the Alkaline Earth BeLi2+ ion; Exploring NLO Response of 9,10-Donor-Acceptor Substituted Bichromophoric Anthracene Derivatives
Asymptotic Model of Exchange Interactions for Polarizability Calculation of van der Waals Complexes Anomalous Diffusion in Dielectric Relaxation of Polyelectrolytes; Isophlorin Derivatives: Structures and Materials for n-Channel Organic Semiconductors; Enhanced First Hyperpolarizability of Donor-Acceptor Diethynylsilane Oligomers; Sum Frequency Generation in Chiral Carbon Nanotubes; Gaussian Basis Sets for Ab Initio Calculation of NLO Properties of Polyatomic Molecules; Quadrupole Polarizabilities of the Rare-Gas Homonuclear Diatoms and Methane Molecules
Sudden Birth and Sudden Death of Entanglement Two-photon-Excitation Fluorescence Depolarization in Solutions and Nano-Scale-Organized (Macro)Molecular Media: Application of the Wide-Angular Detection-Aperture Technique; Molecular Dynamics Calculation of Infra-Red Spectra of Ultra-Dispersed Atmospheric Moisture; Linear Dielectric Relaxation of Dipolar, Rigid, Non-Interacting and Asymmetric-Top Molecules in Smoluchowski-Debye Approach; Intermolecular Covalent Interaction: 20-Center-2-Electron Covalent pi/pi Bonding in Tetrathiafulvalene Radical-Cation Dimer TTF.+-TTF.+
The Anisotropic Polarizability of Pairs of Hydrogen Molecules and the Depolarized Collision-Induced Roto-Translational Raman Light Scattering Spectra Stimulated Thermal Scattering Induced by Two-Photon Absorption and Experimental Observation of Genuine Stimulated Brillouin Scattering in the Near-Ultraviolet Region; Modulation of Stimulated Brillouin Scattering and Stimulated Temperature Scattering Spectral Components by two-Photon Heating; Exciting Field Phase Effect on the Entanglement Death and Birth Phenomena for Nonlinear Coupler System
Temperature Effect on the Optical Spectra of Iron (III) Metal Complexes Exhibiting Spin Crossover and Potential Nonlinear Optical Properties Dynamics of Collapse of Optical Pulses in Kerr Medium; Elongation-CIS Method: Describing Excited States of Large Molecular Systems in Regionally Localized Molecular Orbital Basis; On Magnet c Field of Ring Current; Nonlinear Optical Properties of Solvated Molecules; Paradoxes of Measures of Quantum Entanglement and Bell's Inequality Violation in Two-Qubit Systems
Comparative Study between ONIOM, Ab Initio and DFT Methods, Application: alpha and beta L-Fucopyranose
Record Nr. UNINA-9910814980503321
Amsterdam ; ; Washington, D.C., : IOS Press, c2011
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Pubbl/distr/stampa London : , : Imperial College Press, , [2006]
Descrizione fisica 1 online resource (693 p.)
Disciplina 539.7
Collana Series in computational, numerical and mathematical methods in sciences and engineering
Soggetto topico Polarizability (Electricity)
Atoms
Molecules
Atomic spectroscopy
Cluster theory (Nuclear physics)
Collision spectroscopy
Soggetto genere / forma Electronic books.
ISBN 1-281-86738-1
9786611867386
1-86094-886-3
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Preface; Contents; 1 Atomic Static Dipole Polarizabilites; 1 Introduction; 2 Theory; 3 Hydrogenic Systems; 4 Multi-Electron Atoms. The Static Dipole Polarizabilities from Z=1 to 119; 5 Trends and Correlation with other Properties; 6 Atomic Dipole Polarizabilities from Density Functional Theory; 7 Conclusion; Acknowledgment; References; 2 First-Order ZPVA Correction to First Hyperpolarizabilities of Mono-Substituted Benzene Molecules; 1 Introduction; 2 Methodology; 3 Applications; Acknowledgment; References; 3 Polarizability and Hyperpolarizability in Small Silicon Clusters; 1 Introduction
2 Computational methodology 3 Results and discussion; 4 Conclusions; Acknowledgments; References; 4 Theoretical Calculations of the Static Dipole Polarizability of Atoms and Small Atomic Clusters; 1 Introduction; 2 Theory; 3 Results and Discussion; 4 Concluding Remarks and Outlook; References; 5 Elongation Method for Polymers and Its Application to Nonlinear Optics; 1 Introduction; 2 The elongation method; 3 Applications of the elongation method; 4 Toward Linear Scaling; 5 Application of the elongation method to nonlinear optics; 6 Summary and future prospects; Acknowledgments; References
6 Responses of Molecular Vibrations to Intermolecular Electrostatic Interactions and their Effects on Vibrational Spectroscopic Features1 Introduction; 2 Basic Formulas; 3 Structural Changes Induced by Electric Field and Their Consequences in Vibrational Properties; 4 Modulation of the Electric Fields in Liquids: Field-Modulating Modes (FMMs); 5 Effect of Electrostatic Interactions on the Low-Frequency Vibrational Spectra of Liquids; 6 How to Recognize the Vibrational Modes with Large Effects of Electrostatic Interactions: Intensity-Carrying Modes (ICMs)
7 Electrostatic Vibrational Coupling between Molecules: Transition Dipole Coupling (TDC)8 Conclusions; Acknowledgments; References; 7 The (Hyper)polarizabilities of Liquid Water Modeled Using Coupled Cluster/Molecular Mechanics Response Theory Methods; 1 Introduction; 2 Coupled Cluster Theory for States in Vacuum; 3 Solvent Models; 4 Response Theory and Molecular Properties for Solvated Molecules; 5 Electric Properties of Molecules in Condensed Phases; 6 Conclusions; Acknowledgments; References
8 The Discrete Solvent Reaction Field Model: A Quantum Mechanics/Molecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase1 Introduction; 2 The discrete solvent reaction field model; 3 Calculating macroscopic and microscopic properties with a QM/MM model; 4 Selected applications; 5 Summary and Outlook; References; 9 Extraordinary First Hyperpolarizabilities from Loosely Bound Electron in Dipole-Bound Anions: (HF)N- (N = 2 3 4); 1 Introduction; 2 Calculational methods and numerical results; 3 Conclusion; Acknowledgments; References
10 Third-Order Nonlinear Optical Properties of Open-Shell and/or Charged Molecular Systems
Record Nr. UNINA-9910451907203321
London : , : Imperial College Press, , [2006]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Pubbl/distr/stampa London : , : Imperial College Press, , [2006]
Descrizione fisica 1 online resource (693 p.)
Disciplina 539.7
Collana Series in computational, numerical and mathematical methods in sciences and engineering
Soggetto topico Polarizability (Electricity)
Atoms
Molecules
Atomic spectroscopy
Cluster theory (Nuclear physics)
Collision spectroscopy
ISBN 1-281-86738-1
9786611867386
1-86094-886-3
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Preface; Contents; 1 Atomic Static Dipole Polarizabilites; 1 Introduction; 2 Theory; 3 Hydrogenic Systems; 4 Multi-Electron Atoms. The Static Dipole Polarizabilities from Z=1 to 119; 5 Trends and Correlation with other Properties; 6 Atomic Dipole Polarizabilities from Density Functional Theory; 7 Conclusion; Acknowledgment; References; 2 First-Order ZPVA Correction to First Hyperpolarizabilities of Mono-Substituted Benzene Molecules; 1 Introduction; 2 Methodology; 3 Applications; Acknowledgment; References; 3 Polarizability and Hyperpolarizability in Small Silicon Clusters; 1 Introduction
2 Computational methodology 3 Results and discussion; 4 Conclusions; Acknowledgments; References; 4 Theoretical Calculations of the Static Dipole Polarizability of Atoms and Small Atomic Clusters; 1 Introduction; 2 Theory; 3 Results and Discussion; 4 Concluding Remarks and Outlook; References; 5 Elongation Method for Polymers and Its Application to Nonlinear Optics; 1 Introduction; 2 The elongation method; 3 Applications of the elongation method; 4 Toward Linear Scaling; 5 Application of the elongation method to nonlinear optics; 6 Summary and future prospects; Acknowledgments; References
6 Responses of Molecular Vibrations to Intermolecular Electrostatic Interactions and their Effects on Vibrational Spectroscopic Features1 Introduction; 2 Basic Formulas; 3 Structural Changes Induced by Electric Field and Their Consequences in Vibrational Properties; 4 Modulation of the Electric Fields in Liquids: Field-Modulating Modes (FMMs); 5 Effect of Electrostatic Interactions on the Low-Frequency Vibrational Spectra of Liquids; 6 How to Recognize the Vibrational Modes with Large Effects of Electrostatic Interactions: Intensity-Carrying Modes (ICMs)
7 Electrostatic Vibrational Coupling between Molecules: Transition Dipole Coupling (TDC)8 Conclusions; Acknowledgments; References; 7 The (Hyper)polarizabilities of Liquid Water Modeled Using Coupled Cluster/Molecular Mechanics Response Theory Methods; 1 Introduction; 2 Coupled Cluster Theory for States in Vacuum; 3 Solvent Models; 4 Response Theory and Molecular Properties for Solvated Molecules; 5 Electric Properties of Molecules in Condensed Phases; 6 Conclusions; Acknowledgments; References
8 The Discrete Solvent Reaction Field Model: A Quantum Mechanics/Molecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase1 Introduction; 2 The discrete solvent reaction field model; 3 Calculating macroscopic and microscopic properties with a QM/MM model; 4 Selected applications; 5 Summary and Outlook; References; 9 Extraordinary First Hyperpolarizabilities from Loosely Bound Electron in Dipole-Bound Anions: (HF)N- (N = 2 3 4); 1 Introduction; 2 Calculational methods and numerical results; 3 Conclusion; Acknowledgments; References
10 Third-Order Nonlinear Optical Properties of Open-Shell and/or Charged Molecular Systems
Record Nr. UNINA-9910778371903321
London : , : Imperial College Press, , [2006]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Atoms, molecules and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / / editor, George Maroulis
Pubbl/distr/stampa London : , : Imperial College Press, , [2006]
Descrizione fisica 1 online resource (693 p.)
Disciplina 539.7
Collana Series in computational, numerical and mathematical methods in sciences and engineering
Soggetto topico Polarizability (Electricity)
Atoms
Molecules
Atomic spectroscopy
Cluster theory (Nuclear physics)
Collision spectroscopy
ISBN 1-281-86738-1
9786611867386
1-86094-886-3
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Preface; Contents; 1 Atomic Static Dipole Polarizabilites; 1 Introduction; 2 Theory; 3 Hydrogenic Systems; 4 Multi-Electron Atoms. The Static Dipole Polarizabilities from Z=1 to 119; 5 Trends and Correlation with other Properties; 6 Atomic Dipole Polarizabilities from Density Functional Theory; 7 Conclusion; Acknowledgment; References; 2 First-Order ZPVA Correction to First Hyperpolarizabilities of Mono-Substituted Benzene Molecules; 1 Introduction; 2 Methodology; 3 Applications; Acknowledgment; References; 3 Polarizability and Hyperpolarizability in Small Silicon Clusters; 1 Introduction
2 Computational methodology 3 Results and discussion; 4 Conclusions; Acknowledgments; References; 4 Theoretical Calculations of the Static Dipole Polarizability of Atoms and Small Atomic Clusters; 1 Introduction; 2 Theory; 3 Results and Discussion; 4 Concluding Remarks and Outlook; References; 5 Elongation Method for Polymers and Its Application to Nonlinear Optics; 1 Introduction; 2 The elongation method; 3 Applications of the elongation method; 4 Toward Linear Scaling; 5 Application of the elongation method to nonlinear optics; 6 Summary and future prospects; Acknowledgments; References
6 Responses of Molecular Vibrations to Intermolecular Electrostatic Interactions and their Effects on Vibrational Spectroscopic Features1 Introduction; 2 Basic Formulas; 3 Structural Changes Induced by Electric Field and Their Consequences in Vibrational Properties; 4 Modulation of the Electric Fields in Liquids: Field-Modulating Modes (FMMs); 5 Effect of Electrostatic Interactions on the Low-Frequency Vibrational Spectra of Liquids; 6 How to Recognize the Vibrational Modes with Large Effects of Electrostatic Interactions: Intensity-Carrying Modes (ICMs)
7 Electrostatic Vibrational Coupling between Molecules: Transition Dipole Coupling (TDC)8 Conclusions; Acknowledgments; References; 7 The (Hyper)polarizabilities of Liquid Water Modeled Using Coupled Cluster/Molecular Mechanics Response Theory Methods; 1 Introduction; 2 Coupled Cluster Theory for States in Vacuum; 3 Solvent Models; 4 Response Theory and Molecular Properties for Solvated Molecules; 5 Electric Properties of Molecules in Condensed Phases; 6 Conclusions; Acknowledgments; References
8 The Discrete Solvent Reaction Field Model: A Quantum Mechanics/Molecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase1 Introduction; 2 The discrete solvent reaction field model; 3 Calculating macroscopic and microscopic properties with a QM/MM model; 4 Selected applications; 5 Summary and Outlook; References; 9 Extraordinary First Hyperpolarizabilities from Loosely Bound Electron in Dipole-Bound Anions: (HF)N- (N = 2 3 4); 1 Introduction; 2 Calculational methods and numerical results; 3 Conclusion; Acknowledgments; References
10 Third-Order Nonlinear Optical Properties of Open-Shell and/or Charged Molecular Systems
Record Nr. UNINA-9910811926603321
London : , : Imperial College Press, , [2006]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui