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Aromaticity [[electronic resource] ] : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera
| Aromaticity [[electronic resource] ] : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera |
| Autore | Mandado Marcos |
| Pubbl/distr/stampa | New York, : Nova Science Publishers, c2008 |
| Descrizione fisica | 1 online resource (88 p.) |
| Disciplina | 547/.6 |
| Altri autori (Persone) |
Gonzalez MoaMaria J
MosqueraRicardo A |
| Soggetto topico |
Aromaticity (Chemistry)
Molecular structure Quantum chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN | 1-61122-879-4 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910452451503321 |
Mandado Marcos
|
||
| New York, : Nova Science Publishers, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Aromaticity [[electronic resource] ] : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera
| Aromaticity [[electronic resource] ] : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera |
| Autore | Mandado Marcos |
| Pubbl/distr/stampa | New York, : Nova Science Publishers, c2008 |
| Descrizione fisica | 1 online resource (88 p.) |
| Disciplina | 547/.6 |
| Altri autori (Persone) |
Gonzalez MoaMaria J
MosqueraRicardo A |
| Soggetto topico |
Aromaticity (Chemistry)
Molecular structure Quantum chemistry |
| ISBN | 1-61122-879-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910779635303321 |
|
Mandado Marcos
|
||
| New York, : Nova Science Publishers, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Aromaticity : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera
| Aromaticity : exploring basic chemical concepts with the quantum theory of atoms in molecules / / Marcos Mandado, Maria J. Gonzalez Moa and Ricardo A. Mosquera |
| Autore | Mandado Marcos |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | New York, : Nova Science Publishers, c2008 |
| Descrizione fisica | 1 online resource (88 p.) |
| Disciplina | 547/.6 |
| Altri autori (Persone) |
Gonzalez MoaMaria J
MosqueraRicardo A |
| Soggetto topico |
Aromaticity (Chemistry)
Molecular structure Quantum chemistry |
| ISBN | 1-61122-879-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Intro -- AROMATICITY: EXPLORING BASIC CHEMICAL CONCEPTS WITH THE QUANTUM THEORY OF ATOMS IN MOLECULES -- AROMATICITY: EXPLORING BASIC CHEMICAL CONCEPTS WITH THE QUANTUM THEORY OF ATOMS IN MOLECULES -- CONTENTS -- PREFACE -- 1. INTRODUCTION -- 1.1. AN OVERVIEW OF AROMATICITY AND AROMATICITY INDICES -- 1.2 ELECTRON DELOCALIZATION AND THE FERMI HOLE -- 1.3 GENERALIZATION OF THE ELECTRON DELOCALIZATION TO THE CASE OF n-CENTERS USING QTAIM FORMULATION -- 2. TRACKING AROMATICITY AND ANTIAROMATICITY BASED ON n-DIS. THE n-DEPENDENCE OF THE INDEX -- 3. APPLICATIONS OF THE n-DIS: THE STUDY OF AROMATICITY -- 3.1 TOTAL AND LOCAL AROMATICITY IN SMALL AROMATIC COMPOUNDS. COMPARISON WITH OTHER AROMATICITY INDICES -- 3.2 TOTAL AND LOCAL AROMATICITY IN LARGE PAHS COMPARISON WITH THE CGT -- 3.2.1 Total Aromaticity in Large PAHs -- 3.2.2 Local Aromaticity in Large PAHs -- 3.2.2.1 First Criterion of Local Aromaticity -- 3.2.2.2 Second Criterion of Local Aromaticity -- 3.3 THE ROLE OF THE ELECTRON DELOCALIZATION ON THE STABILITY OF AROMATIC POSITION ISOMERS -- 3.3.1 Monoheterocycles -- 3.3.2 Polyheterocycles -- 3.4 APPLICATIONS OF THE n-DIS TO THE STUDY OF PERICYCLIC REACTIONS -- 3.4.1 Characterization of Aromatic TS -- 3.4.2 Tracking the Multicenter Electron Delocalization along the Reaction Path -- 4. MULTICENTER ELECTRON DELOCALIZATION IN ALL- METAL COMPOUNDS -- 4.1 ELECTRON DELOCALIZATION AND BINDING ENERGY IN BIMETALLIC CLUSTERS MAl4- (M=Li,Na,Cu) AND MAl4 (M=Mg,Zn) -- 4.2 ELECTRON DELOCALIZATION IN Li3Al4- AND Li4Al4 -- REFERENCES. |
| Altri titoli varianti | Exploring basic chemical concepts with the quantum theory of atoms in molecules |
| Record Nr. | UNINA-9910973671803321 |
|
Mandado Marcos
|
||
| New York, : Nova Science Publishers, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Transition-metal-mediated aromatic ring construction [[electronic resource] /] / edited by Ken Tanaka
| Transition-metal-mediated aromatic ring construction [[electronic resource] /] / edited by Ken Tanaka |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, c2013 |
| Descrizione fisica | 1 online resource (831 p.) |
| Disciplina | 547/.6 |
| Altri autori (Persone) | TanakaKen <1967-> |
| Soggetto topico |
Aromatic compounds - Synthesis
Transition metal catalysts |
| ISBN |
1-118-62999-X
1-118-62987-6 1-118-63016-5 |
| Classificazione | SCI013040 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
TRANSITION-METAL-MEDIATEDAROMATIC RING CONSTRUCTION; CONTENTS; CONTRIBUTORS; PREFACE; PART I [2 + 2 + 2] AND RELATED CYCLOADDITION REACTIONS; 1 Cobalt-Mediated [2+2+2] Cycloaddition; 1.1 Introduction; 1.2 Synthesis of Benzenes; 1.2.1 New Catalytic Systems; 1.2.2 New Cyclization Partners; 1.2.3 Chemo- and Regioselectivity Issues; 1.3 Synthesis of Heterocycles; 1.3.1 New Catalytic Systems; 1.3.2 New Cyclization Partners; 1.3.3 Chemo- and Regioselectivity Issues; 1.4 Mechanistic Aspects; 1.5 Synthetic Applications; 1.5.1 Natural Products and Naturally Occurring Scaffolds; 1.5.2 Polyphenylenes
1.6 Summary and OutlookReferences; 2 Nickel-Mediated [2+2+2] Cycloaddition; 2.1 Introduction; 2.2 Synthesis of Benzenes; 2.3 Cycloaddition of Alkynes and Nitriles; 2.4 Cycloaddition of Alkynes and Imines; 2.5 Cycloaddition of Alkynes and Carbon Dioxide; 2.6 Cycloaddition of Alkynes and Isocyanates; 2.7 Cycloaddition of Alkynes and Carbodiimide; 2.8 Cycloaddition of Diynes and Ketenes; 2.9 Cycloaddition of Arynes; 2.10 Mechanism; 2.10.1 Coupling of Alkynes and Allene; 2.10.2 Cycloaddition of Alkyne and Nitrile; 2.10.3 Cycloaddition of Alkynes and Heterocumulenes; 2.10.4 Cycloaddition of Arynes 2.11 Summary and OutlookReferences; 3 Ruthenium-Mediated [2+2+2] Cycloaddition; 3.1 Introduction; 3.2 Synthesis of Benzenes; 3.2.1 Cyclotrimerization; 3.2.2 Cross-Cyclotrimerization; 3.2.3 Partially Intramolecular Cyclotrimerizations; 3.2.4 Fully Intramolecular Cyclotrimerization; 3.2.5 Cyclotrimerization of Alkynylboronates and 1-Haloalkynes; 3.3 Synthesis of Heterocycles; 3.3.1 Cyclocotrimerization of Alkynes with Nitriles to Form Pyridines; 3.3.2 Cyclocotrimerization of Alkynes with Heterocumulenes; 3.4 Mechanism of Ruthenium-Catalyzed [2+2+2] Cycloadditions; 3.5 Synthetic Applications 3.5.1 Synthesis of Biologically Interesting Molecules3.5.2 Synthesis of Polyaromatic Functional Molecules; 3.6 Summary and Outlook; References; 4 Rhodium-Mediated [2+2+2] Cycloaddition; 4.1 Introduction; 4.2 Synthesis of Benzenes; 4.2.1 Intermolecular Reactions Catalyzed by Neutral Rhodium Complexes; 4.2.2 Intermolecular Reactions Catalyzed by Cationic Rhodium Complexes; 4.2.3 Intramolecular Reactions Catalyzed by Neutral Rhodium Complexes; 4.2.4 Intramolecular Reactions Catalyzed by Cationic Rhodium Complexes; 4.3 Synthesis of Pyridines; 4.3.1 Intermolecular Reactions 4.3.2 Intramolecular Reactions4.4 Synthesis of Pyridones and Related Heterocycles; 4.4.1 Intermolecular Reactions; 4.4.2 Intramolecular Reactions; 4.5 Summary and Outlook; References; 5 Iridium-Mediated [2+2+2] Cycloaddition; 5.1 Introduction; 5.2 Synthesis of Benzene Derivatives; 5.3 Synthesis of Heterocyclic Compounds; 5.4 Mechanistic Aspects; 5.5 Summary and Outlook; References; 6 [2+2+2] and Related Cycloadditions Mediated by Other Transition Metals; 6.1 Introduction; 6.2 Palladium-Catalyzed [2+2+2] and [2+2+1] Cycloadditions; 6.2.1 [2+2+2] Cycloaddition; 6.2.2 [2+2+1] Cycloaddition 6.3 Iron-Catalyzed [2+2+2] Cycloaddition |
| Record Nr. | UNINA-9910141763303321 |
| Hoboken, N.J., : Wiley, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Transition-metal-mediated aromatic ring construction / / edited by Ken Tanaka
| Transition-metal-mediated aromatic ring construction / / edited by Ken Tanaka |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, c2013 |
| Descrizione fisica | 1 online resource (831 p.) |
| Disciplina | 547/.6 |
| Altri autori (Persone) | TanakaKen <1967-> |
| Soggetto topico |
Aromatic compounds - Synthesis
Transition metal catalysts |
| ISBN |
9781118629994
111862999X 9781118629871 1118629876 9781118630167 1118630165 |
| Classificazione | SCI013040 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
TRANSITION-METAL-MEDIATEDAROMATIC RING CONSTRUCTION; CONTENTS; CONTRIBUTORS; PREFACE; PART I [2 + 2 + 2] AND RELATED CYCLOADDITION REACTIONS; 1 Cobalt-Mediated [2+2+2] Cycloaddition; 1.1 Introduction; 1.2 Synthesis of Benzenes; 1.2.1 New Catalytic Systems; 1.2.2 New Cyclization Partners; 1.2.3 Chemo- and Regioselectivity Issues; 1.3 Synthesis of Heterocycles; 1.3.1 New Catalytic Systems; 1.3.2 New Cyclization Partners; 1.3.3 Chemo- and Regioselectivity Issues; 1.4 Mechanistic Aspects; 1.5 Synthetic Applications; 1.5.1 Natural Products and Naturally Occurring Scaffolds; 1.5.2 Polyphenylenes
1.6 Summary and OutlookReferences; 2 Nickel-Mediated [2+2+2] Cycloaddition; 2.1 Introduction; 2.2 Synthesis of Benzenes; 2.3 Cycloaddition of Alkynes and Nitriles; 2.4 Cycloaddition of Alkynes and Imines; 2.5 Cycloaddition of Alkynes and Carbon Dioxide; 2.6 Cycloaddition of Alkynes and Isocyanates; 2.7 Cycloaddition of Alkynes and Carbodiimide; 2.8 Cycloaddition of Diynes and Ketenes; 2.9 Cycloaddition of Arynes; 2.10 Mechanism; 2.10.1 Coupling of Alkynes and Allene; 2.10.2 Cycloaddition of Alkyne and Nitrile; 2.10.3 Cycloaddition of Alkynes and Heterocumulenes; 2.10.4 Cycloaddition of Arynes 2.11 Summary and OutlookReferences; 3 Ruthenium-Mediated [2+2+2] Cycloaddition; 3.1 Introduction; 3.2 Synthesis of Benzenes; 3.2.1 Cyclotrimerization; 3.2.2 Cross-Cyclotrimerization; 3.2.3 Partially Intramolecular Cyclotrimerizations; 3.2.4 Fully Intramolecular Cyclotrimerization; 3.2.5 Cyclotrimerization of Alkynylboronates and 1-Haloalkynes; 3.3 Synthesis of Heterocycles; 3.3.1 Cyclocotrimerization of Alkynes with Nitriles to Form Pyridines; 3.3.2 Cyclocotrimerization of Alkynes with Heterocumulenes; 3.4 Mechanism of Ruthenium-Catalyzed [2+2+2] Cycloadditions; 3.5 Synthetic Applications 3.5.1 Synthesis of Biologically Interesting Molecules3.5.2 Synthesis of Polyaromatic Functional Molecules; 3.6 Summary and Outlook; References; 4 Rhodium-Mediated [2+2+2] Cycloaddition; 4.1 Introduction; 4.2 Synthesis of Benzenes; 4.2.1 Intermolecular Reactions Catalyzed by Neutral Rhodium Complexes; 4.2.2 Intermolecular Reactions Catalyzed by Cationic Rhodium Complexes; 4.2.3 Intramolecular Reactions Catalyzed by Neutral Rhodium Complexes; 4.2.4 Intramolecular Reactions Catalyzed by Cationic Rhodium Complexes; 4.3 Synthesis of Pyridines; 4.3.1 Intermolecular Reactions 4.3.2 Intramolecular Reactions4.4 Synthesis of Pyridones and Related Heterocycles; 4.4.1 Intermolecular Reactions; 4.4.2 Intramolecular Reactions; 4.5 Summary and Outlook; References; 5 Iridium-Mediated [2+2+2] Cycloaddition; 5.1 Introduction; 5.2 Synthesis of Benzene Derivatives; 5.3 Synthesis of Heterocyclic Compounds; 5.4 Mechanistic Aspects; 5.5 Summary and Outlook; References; 6 [2+2+2] and Related Cycloadditions Mediated by Other Transition Metals; 6.1 Introduction; 6.2 Palladium-Catalyzed [2+2+2] and [2+2+1] Cycloadditions; 6.2.1 [2+2+2] Cycloaddition; 6.2.2 [2+2+1] Cycloaddition 6.3 Iron-Catalyzed [2+2+2] Cycloaddition |
| Record Nr. | UNINA-9910816824503321 |
| Hoboken, N.J., : Wiley, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||