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Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner
| Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2011 |
| Descrizione fisica | 1 online resource (266 p.) |
| Disciplina | 544.6 |
| Altri autori (Persone) |
KomatsuzakiTamiki
BerryR. Stephen <1931-2020.> LeitnerDavid M RiceStuart A DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Microclusters Proteins |
| ISBN |
1-283-20392-8
9786613203922 1-118-08782-8 1-118-08781-X 1-118-08783-6 |
| Classificazione |
VE 2300
UA 1024 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS; Contents; Preface; Non-Markovian Theory of Vibrational Energy Relaxation andits Applications to Biomolecular Systems; Protein Functional Motions: Basic Concepts and Computational Methodologies; Non-Brownian Phase Space Dynamics of Molecules, the Nature of Their Vibrational States, and Non-RRKM Kinetics; Dynamical Reaction Theory Based on Geometric Structures in Phase Space; Ergodic Problems for Real Complex Systems in Chemical Physics; Author Index; Subject Index |
| Record Nr. | UNINA-9910139620803321 |
| Hoboken, N.J., : Wiley, 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner
| Advancing theory for kinetics and dynamics of complex, many-dimensional systems [[electronic resource] ] : clusters and proteins / / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner ; series editors, Stuart A. Rice, Aaron R. Dinner |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2011 |
| Descrizione fisica | 1 online resource (266 p.) |
| Disciplina | 544.6 |
| Altri autori (Persone) |
KomatsuzakiTamiki
BerryR. Stephen <1931-2020.> LeitnerDavid M RiceStuart A DinnerAaron R |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Microclusters Proteins |
| ISBN |
1-283-20392-8
9786613203922 1-118-08782-8 1-118-08781-X 1-118-08783-6 |
| Classificazione |
VE 2300
UA 1024 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS; Contents; Preface; Non-Markovian Theory of Vibrational Energy Relaxation andits Applications to Biomolecular Systems; Protein Functional Motions: Basic Concepts and Computational Methodologies; Non-Brownian Phase Space Dynamics of Molecules, the Nature of Their Vibrational States, and Non-RRKM Kinetics; Dynamical Reaction Theory Based on Geometric Structures in Phase Space; Ergodic Problems for Real Complex Systems in Chemical Physics; Author Index; Subject Index |
| Record Nr. | UNINA-9910828100203321 |
| Hoboken, N.J., : Wiley, 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein
| Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1996 |
| Descrizione fisica | 1 online resource (272 p.) |
| Disciplina |
541.224
541.394 |
| Altri autori (Persone) | BernsteinE. R (Elliot R.) |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Chemical reaction, Conditions and laws of
Microclusters Molecular dynamics |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-756059-8
1-280-52745-5 9786610527458 0-19-535821-X 1-4294-0039-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Contributors; 1. Theoretical Approaches to the Reaction Dynamics of Clusters; 2. Weakly Bound Molecular Complexes as Model Systems for Understanding Chemical Reactions; 3. Dynamics of Ground State Biomolecular Reactions; 4. Photochemistry of van der Waals Complexes and Small Clusters; 5. Intermolecular Dynamics and Biomolecular Reactions; 6. Reaction Dynamics in Femtosecond and Microsecond Time Windows: Ammonia Clusters as Paradigm; 7. Magic Numbers, Reactivity, and Ionization Mechanisms in Ar[sub(n)]X[sub(m)] Heteroclusters; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; Q; R
ST; U; V; W; X |
| Record Nr. | UNINA-9910451497903321 |
| New York, : Oxford University Press, 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein
| Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1996 |
| Descrizione fisica | 1 online resource (272 p.) |
| Disciplina |
541.224
541.394 |
| Altri autori (Persone) | BernsteinE. R (Elliot R.) |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Chemical reaction, Conditions and laws of
Microclusters Molecular dynamics |
| ISBN |
0-19-756059-8
1-280-52745-5 9786610527458 0-19-535821-X 1-4294-0039-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Contributors; 1. Theoretical Approaches to the Reaction Dynamics of Clusters; 2. Weakly Bound Molecular Complexes as Model Systems for Understanding Chemical Reactions; 3. Dynamics of Ground State Biomolecular Reactions; 4. Photochemistry of van der Waals Complexes and Small Clusters; 5. Intermolecular Dynamics and Biomolecular Reactions; 6. Reaction Dynamics in Femtosecond and Microsecond Time Windows: Ammonia Clusters as Paradigm; 7. Magic Numbers, Reactivity, and Ionization Mechanisms in Ar[sub(n)]X[sub(m)] Heteroclusters; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; Q; R
ST; U; V; W; X |
| Record Nr. | UNINA-9910784970703321 |
| New York, : Oxford University Press, 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein
| Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1996 |
| Descrizione fisica | 1 online resource (272 p.) |
| Disciplina |
541.224
541.394 |
| Altri autori (Persone) | BernsteinE. R (Elliot R.) |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Chemical reaction, Conditions and laws of
Microclusters Molecular dynamics |
| ISBN |
0-19-756059-8
1-280-52745-5 9786610527458 0-19-535821-X 1-4294-0039-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Contributors; 1. Theoretical Approaches to the Reaction Dynamics of Clusters; 2. Weakly Bound Molecular Complexes as Model Systems for Understanding Chemical Reactions; 3. Dynamics of Ground State Biomolecular Reactions; 4. Photochemistry of van der Waals Complexes and Small Clusters; 5. Intermolecular Dynamics and Biomolecular Reactions; 6. Reaction Dynamics in Femtosecond and Microsecond Time Windows: Ammonia Clusters as Paradigm; 7. Magic Numbers, Reactivity, and Ionization Mechanisms in Ar[sub(n)]X[sub(m)] Heteroclusters; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; Q; R
ST; U; V; W; X |
| Record Nr. | UNINA-9910824398903321 |
| New York, : Oxford University Press, 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid
| Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1994 |
| Descrizione fisica | 1 online resource (573 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) | SchmidGünter <1937-> |
| Soggetto topico |
Microclusters
Colloids Molecular theory |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-75885-X
9786611758851 3-527-61607-1 3-527-61606-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Clusters and Colloids; Contents; 1 General Introduction; 2 Electronic Structure of Metal Clusters and Cluster Compounds; 2.1 Introduction; 2.2 The Description of the Clusters Electronic Structure; 2.2.1 Wave Function Based Methods; 2.2.2 Density Functional Methods; 2.2.3 Simplified Methods; 2.3 Structure and Properties of Naked Clusters; 2.3.1 The Theoretical Description of Metal Clusters; 2.3.2 Structure, Bonding, and Stability; 2.3.2.1 Geometrical Structures; 2.3.2.2 The Jellium Model; 2.3.2.3 Fluxionality; 2.3.2.4 Stability and Fragmentation; 2.3.2.5 Bond Lengths
2.3.2.6 Electron Delocalization in Clusters2.3.3 Ionization Potentials and Electron Affinities; 2.3.4 Electronic States, "Band Structure", and Band Gap; 2.3.5 Optical Responses; 2.3.6 Clusters in External Fields; 2.3.6.1 Magnetic Behavior; 2.3.6.2 Electric Polarizability; 2.4 Structure and Properties of Ligated Clusters; 2.4.1 The Metal - Ligand Interactions; 2.4.2 Structures and Bond Lengths; 2.4.2.1 Geometrical Structures; 2.4.2.2 Metal - Metal Bond Lengths; 2.4.2.3 The Ligand Polyhedron; 2.4.3 Topological Relationships and Simplified Bonding Models 2.4.3.1 The Effective Atomic Number (EAN) Rule2.4.3.2 The Polyhedral Skeletal Electron Pair (PSEP) Model; 2.4.3.3 Topological Electron Counting (TEC); 2.4.3.4 Electron Counting Based on the Extended Hückel Approach; 2.4.3.5 Clusters Stabilized by s-s Interactions: A Unified View; 2.4.4 Quantum Chemistry of Organometallic Clusters: A Deeper Look into the Bonding; 2.4.4.1 Semiempirical Calculations; 2.4.4.2 Limitations of Simplified Approaches; 2.4.4.3 Bare Versus Ligated Clusters: The Effect of the Ligands; 2.4.4.4 Ligand-Field Effects in Clusters; 2.4.4.5 The Strength of the Metal-Metal Bonds 2.4.4.6 Clusters with Interstitial Atoms2.4.5 Physical Measurements and Chemical Bonding; 2.4.5.1 Photoelectron Spectroscopy; 2.4.5.2 Optical Spectroscopy; 2.4.5.3 Magnetic Susceptibility Measurements; 2.4.5.4 ESR Spectra; 2.4.5.5 NMR Spectra; 2.4.5.6 Specific Heat; 2.4.5.7 Redox Properties; 2.5 Conclusions; 2.5.1 The Role of Theory in Clusters Research; 2.5.2 On the Analogy between Metal Clusters and Surfaces; References; 3 Clusters in Ligand Shells; 3.1 Introduction; 3.2 Low-valent Organometallic Clusters 3.2.1 Interplay Between Electronic and Steric Factors in the Growth of Transition Metal Molecular Clusters in Ligand Shells3.2.2 Bonding and Spectroscopic Behavior of Carbon Monoxide; 3.2.3 Stereochemical Non-rigidity of Clusters in Ligand Shells; 3.2.4 Homo- and Heterometallic Transition Metal Clusters; 3.2.4.1 Synthesis of High Nuclearity Clusters by Ligand Elimination; 3.2.4.2 Synthesis of Higher Nuclearity Clusters by Elimination of Metal Fragments; 3.2.4.3 Synthesis of Higher Nuclearity Clusters by Redox Processes; 3.2.4.4 Structural Features of Homo- and Heterometallic Clusters 3.2.5 Transition Metal Clusters Containing Main Group Elements |
| Record Nr. | UNINA-9910144301203321 |
| Weinheim ; ; New York, : VCH, c1994 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid
| Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1994 |
| Descrizione fisica | 1 online resource (573 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) | SchmidGünter <1937-> |
| Soggetto topico |
Microclusters
Colloids Molecular theory |
| ISBN |
1-281-75885-X
9786611758851 3-527-61607-1 3-527-61606-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Clusters and Colloids; Contents; 1 General Introduction; 2 Electronic Structure of Metal Clusters and Cluster Compounds; 2.1 Introduction; 2.2 The Description of the Clusters Electronic Structure; 2.2.1 Wave Function Based Methods; 2.2.2 Density Functional Methods; 2.2.3 Simplified Methods; 2.3 Structure and Properties of Naked Clusters; 2.3.1 The Theoretical Description of Metal Clusters; 2.3.2 Structure, Bonding, and Stability; 2.3.2.1 Geometrical Structures; 2.3.2.2 The Jellium Model; 2.3.2.3 Fluxionality; 2.3.2.4 Stability and Fragmentation; 2.3.2.5 Bond Lengths
2.3.2.6 Electron Delocalization in Clusters2.3.3 Ionization Potentials and Electron Affinities; 2.3.4 Electronic States, "Band Structure", and Band Gap; 2.3.5 Optical Responses; 2.3.6 Clusters in External Fields; 2.3.6.1 Magnetic Behavior; 2.3.6.2 Electric Polarizability; 2.4 Structure and Properties of Ligated Clusters; 2.4.1 The Metal - Ligand Interactions; 2.4.2 Structures and Bond Lengths; 2.4.2.1 Geometrical Structures; 2.4.2.2 Metal - Metal Bond Lengths; 2.4.2.3 The Ligand Polyhedron; 2.4.3 Topological Relationships and Simplified Bonding Models 2.4.3.1 The Effective Atomic Number (EAN) Rule2.4.3.2 The Polyhedral Skeletal Electron Pair (PSEP) Model; 2.4.3.3 Topological Electron Counting (TEC); 2.4.3.4 Electron Counting Based on the Extended Hückel Approach; 2.4.3.5 Clusters Stabilized by s-s Interactions: A Unified View; 2.4.4 Quantum Chemistry of Organometallic Clusters: A Deeper Look into the Bonding; 2.4.4.1 Semiempirical Calculations; 2.4.4.2 Limitations of Simplified Approaches; 2.4.4.3 Bare Versus Ligated Clusters: The Effect of the Ligands; 2.4.4.4 Ligand-Field Effects in Clusters; 2.4.4.5 The Strength of the Metal-Metal Bonds 2.4.4.6 Clusters with Interstitial Atoms2.4.5 Physical Measurements and Chemical Bonding; 2.4.5.1 Photoelectron Spectroscopy; 2.4.5.2 Optical Spectroscopy; 2.4.5.3 Magnetic Susceptibility Measurements; 2.4.5.4 ESR Spectra; 2.4.5.5 NMR Spectra; 2.4.5.6 Specific Heat; 2.4.5.7 Redox Properties; 2.5 Conclusions; 2.5.1 The Role of Theory in Clusters Research; 2.5.2 On the Analogy between Metal Clusters and Surfaces; References; 3 Clusters in Ligand Shells; 3.1 Introduction; 3.2 Low-valent Organometallic Clusters 3.2.1 Interplay Between Electronic and Steric Factors in the Growth of Transition Metal Molecular Clusters in Ligand Shells3.2.2 Bonding and Spectroscopic Behavior of Carbon Monoxide; 3.2.3 Stereochemical Non-rigidity of Clusters in Ligand Shells; 3.2.4 Homo- and Heterometallic Transition Metal Clusters; 3.2.4.1 Synthesis of High Nuclearity Clusters by Ligand Elimination; 3.2.4.2 Synthesis of Higher Nuclearity Clusters by Elimination of Metal Fragments; 3.2.4.3 Synthesis of Higher Nuclearity Clusters by Redox Processes; 3.2.4.4 Structural Features of Homo- and Heterometallic Clusters 3.2.5 Transition Metal Clusters Containing Main Group Elements |
| Record Nr. | UNISA-996211955203316 |
| Weinheim ; ; New York, : VCH, c1994 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid
| Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1994 |
| Descrizione fisica | 1 online resource (573 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) | SchmidGünter <1937-> |
| Soggetto topico |
Microclusters
Colloids Molecular theory |
| ISBN |
1-281-75885-X
9786611758851 3-527-61607-1 3-527-61606-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Clusters and Colloids; Contents; 1 General Introduction; 2 Electronic Structure of Metal Clusters and Cluster Compounds; 2.1 Introduction; 2.2 The Description of the Clusters Electronic Structure; 2.2.1 Wave Function Based Methods; 2.2.2 Density Functional Methods; 2.2.3 Simplified Methods; 2.3 Structure and Properties of Naked Clusters; 2.3.1 The Theoretical Description of Metal Clusters; 2.3.2 Structure, Bonding, and Stability; 2.3.2.1 Geometrical Structures; 2.3.2.2 The Jellium Model; 2.3.2.3 Fluxionality; 2.3.2.4 Stability and Fragmentation; 2.3.2.5 Bond Lengths
2.3.2.6 Electron Delocalization in Clusters2.3.3 Ionization Potentials and Electron Affinities; 2.3.4 Electronic States, "Band Structure", and Band Gap; 2.3.5 Optical Responses; 2.3.6 Clusters in External Fields; 2.3.6.1 Magnetic Behavior; 2.3.6.2 Electric Polarizability; 2.4 Structure and Properties of Ligated Clusters; 2.4.1 The Metal - Ligand Interactions; 2.4.2 Structures and Bond Lengths; 2.4.2.1 Geometrical Structures; 2.4.2.2 Metal - Metal Bond Lengths; 2.4.2.3 The Ligand Polyhedron; 2.4.3 Topological Relationships and Simplified Bonding Models 2.4.3.1 The Effective Atomic Number (EAN) Rule2.4.3.2 The Polyhedral Skeletal Electron Pair (PSEP) Model; 2.4.3.3 Topological Electron Counting (TEC); 2.4.3.4 Electron Counting Based on the Extended Hückel Approach; 2.4.3.5 Clusters Stabilized by s-s Interactions: A Unified View; 2.4.4 Quantum Chemistry of Organometallic Clusters: A Deeper Look into the Bonding; 2.4.4.1 Semiempirical Calculations; 2.4.4.2 Limitations of Simplified Approaches; 2.4.4.3 Bare Versus Ligated Clusters: The Effect of the Ligands; 2.4.4.4 Ligand-Field Effects in Clusters; 2.4.4.5 The Strength of the Metal-Metal Bonds 2.4.4.6 Clusters with Interstitial Atoms2.4.5 Physical Measurements and Chemical Bonding; 2.4.5.1 Photoelectron Spectroscopy; 2.4.5.2 Optical Spectroscopy; 2.4.5.3 Magnetic Susceptibility Measurements; 2.4.5.4 ESR Spectra; 2.4.5.5 NMR Spectra; 2.4.5.6 Specific Heat; 2.4.5.7 Redox Properties; 2.5 Conclusions; 2.5.1 The Role of Theory in Clusters Research; 2.5.2 On the Analogy between Metal Clusters and Surfaces; References; 3 Clusters in Ligand Shells; 3.1 Introduction; 3.2 Low-valent Organometallic Clusters 3.2.1 Interplay Between Electronic and Steric Factors in the Growth of Transition Metal Molecular Clusters in Ligand Shells3.2.2 Bonding and Spectroscopic Behavior of Carbon Monoxide; 3.2.3 Stereochemical Non-rigidity of Clusters in Ligand Shells; 3.2.4 Homo- and Heterometallic Transition Metal Clusters; 3.2.4.1 Synthesis of High Nuclearity Clusters by Ligand Elimination; 3.2.4.2 Synthesis of Higher Nuclearity Clusters by Elimination of Metal Fragments; 3.2.4.3 Synthesis of Higher Nuclearity Clusters by Redox Processes; 3.2.4.4 Structural Features of Homo- and Heterometallic Clusters 3.2.5 Transition Metal Clusters Containing Main Group Elements |
| Record Nr. | UNINA-9910830481403321 |
| Weinheim ; ; New York, : VCH, c1994 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid
| Clusters and colloids [[electronic resource] ] : from theory to applications / / edited by Günter Schmid |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1994 |
| Descrizione fisica | 1 online resource (573 p.) |
| Disciplina | 541.3 |
| Altri autori (Persone) | SchmidGünter <1937-> |
| Soggetto topico |
Microclusters
Colloids Molecular theory |
| ISBN |
1-281-75885-X
9786611758851 3-527-61607-1 3-527-61606-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Clusters and Colloids; Contents; 1 General Introduction; 2 Electronic Structure of Metal Clusters and Cluster Compounds; 2.1 Introduction; 2.2 The Description of the Clusters Electronic Structure; 2.2.1 Wave Function Based Methods; 2.2.2 Density Functional Methods; 2.2.3 Simplified Methods; 2.3 Structure and Properties of Naked Clusters; 2.3.1 The Theoretical Description of Metal Clusters; 2.3.2 Structure, Bonding, and Stability; 2.3.2.1 Geometrical Structures; 2.3.2.2 The Jellium Model; 2.3.2.3 Fluxionality; 2.3.2.4 Stability and Fragmentation; 2.3.2.5 Bond Lengths
2.3.2.6 Electron Delocalization in Clusters2.3.3 Ionization Potentials and Electron Affinities; 2.3.4 Electronic States, "Band Structure", and Band Gap; 2.3.5 Optical Responses; 2.3.6 Clusters in External Fields; 2.3.6.1 Magnetic Behavior; 2.3.6.2 Electric Polarizability; 2.4 Structure and Properties of Ligated Clusters; 2.4.1 The Metal - Ligand Interactions; 2.4.2 Structures and Bond Lengths; 2.4.2.1 Geometrical Structures; 2.4.2.2 Metal - Metal Bond Lengths; 2.4.2.3 The Ligand Polyhedron; 2.4.3 Topological Relationships and Simplified Bonding Models 2.4.3.1 The Effective Atomic Number (EAN) Rule2.4.3.2 The Polyhedral Skeletal Electron Pair (PSEP) Model; 2.4.3.3 Topological Electron Counting (TEC); 2.4.3.4 Electron Counting Based on the Extended Hückel Approach; 2.4.3.5 Clusters Stabilized by s-s Interactions: A Unified View; 2.4.4 Quantum Chemistry of Organometallic Clusters: A Deeper Look into the Bonding; 2.4.4.1 Semiempirical Calculations; 2.4.4.2 Limitations of Simplified Approaches; 2.4.4.3 Bare Versus Ligated Clusters: The Effect of the Ligands; 2.4.4.4 Ligand-Field Effects in Clusters; 2.4.4.5 The Strength of the Metal-Metal Bonds 2.4.4.6 Clusters with Interstitial Atoms2.4.5 Physical Measurements and Chemical Bonding; 2.4.5.1 Photoelectron Spectroscopy; 2.4.5.2 Optical Spectroscopy; 2.4.5.3 Magnetic Susceptibility Measurements; 2.4.5.4 ESR Spectra; 2.4.5.5 NMR Spectra; 2.4.5.6 Specific Heat; 2.4.5.7 Redox Properties; 2.5 Conclusions; 2.5.1 The Role of Theory in Clusters Research; 2.5.2 On the Analogy between Metal Clusters and Surfaces; References; 3 Clusters in Ligand Shells; 3.1 Introduction; 3.2 Low-valent Organometallic Clusters 3.2.1 Interplay Between Electronic and Steric Factors in the Growth of Transition Metal Molecular Clusters in Ligand Shells3.2.2 Bonding and Spectroscopic Behavior of Carbon Monoxide; 3.2.3 Stereochemical Non-rigidity of Clusters in Ligand Shells; 3.2.4 Homo- and Heterometallic Transition Metal Clusters; 3.2.4.1 Synthesis of High Nuclearity Clusters by Ligand Elimination; 3.2.4.2 Synthesis of Higher Nuclearity Clusters by Elimination of Metal Fragments; 3.2.4.3 Synthesis of Higher Nuclearity Clusters by Redox Processes; 3.2.4.4 Structural Features of Homo- and Heterometallic Clusters 3.2.5 Transition Metal Clusters Containing Main Group Elements |
| Record Nr. | UNINA-9910840770003321 |
| Weinheim ; ; New York, : VCH, c1994 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Clusters and nano-assemblies [[electronic resource] ] : physical and biological systems : Richmond, Virginia, U.S.A., 10-13 November, 2003 / / editors, P. Jena, S.N. Khanna, B.K. Rao
| Clusters and nano-assemblies [[electronic resource] ] : physical and biological systems : Richmond, Virginia, U.S.A., 10-13 November, 2003 / / editors, P. Jena, S.N. Khanna, B.K. Rao |
| Pubbl/distr/stampa | Singapore ; ; New York, : World Scientific Pub., c2005 |
| Descrizione fisica | 1 online resource (465 p.) |
| Disciplina | 539/.6 |
| Altri autori (Persone) |
JenaP
KhannaS. N RaoB. K |
| Soggetto topico |
Nanostructures
Microclusters |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-37280-3
9786611372804 981-270-187-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Preface; CONTENTS; Atomic Clusters; Organic and Molecular Clusters; Catalysis; Quantum Dots/Rings; Nano-Wires and Tubes; Magnetic Properties; Electrical and Optical Properties; Clusters on Support; Nano-Growth on Strained SurfacedNano-Assemblies; Biology at Molecular Level; Bio technology; Organization; Participants; Author Index; Subject Index |
| Record Nr. | UNINA-9910450686303321 |
| Singapore ; ; New York, : World Scientific Pub., c2005 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Soggetto topico
-
Microclusters
(37)
- Nanostructures (7)
- Molecular dynamics (5)
- Colloids (4)
- Fullerenes (4)