Info
- Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.
Discovering chemistry with natural bond orbitals [[electronic resource] /] / Frank Weinhold, Clark R. Landis
| Discovering chemistry with natural bond orbitals [[electronic resource] /] / Frank Weinhold, Clark R. Landis |
| Autore | Weinhold Frank <1941-> |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2012 |
| Descrizione fisica | 1 online resource (350 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | LandisClark R. <1956-> |
| Soggetto topico |
Chemical bonds
Molecular orbitals |
| ISBN |
1-280-77867-9
9786613689061 1-118-22919-3 1-118-22910-X 1-118-22916-9 |
| Classificazione | SCI013050 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry. |
| Record Nr. | UNINA-9910141258203321 |
Weinhold Frank <1941->
|
||
| Hoboken, N.J., : Wiley, 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Discovering chemistry with natural bond orbitals / / Frank Weinhold, Clark R. Landis
| Discovering chemistry with natural bond orbitals / / Frank Weinhold, Clark R. Landis |
| Autore | Weinhold Frank <1941-> |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2012 |
| Descrizione fisica | 1 online resource (350 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | LandisClark R. <1956-> |
| Soggetto topico |
Chemical bonds
Molecular orbitals |
| ISBN |
1-280-77867-9
9786613689061 1-118-22919-3 1-118-22910-X 1-118-22916-9 |
| Classificazione | SCI013050 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry. |
| Record Nr. | UNINA-9910818884403321 |
|
Weinhold Frank <1941->
|
||
| Hoboken, N.J., : Wiley, 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Effect of vacuum processing on outgassing within an orbiting molecular shield / / R.A. Outlaw
| Effect of vacuum processing on outgassing within an orbiting molecular shield / / R.A. Outlaw |
| Autore | Outlaw R. A. |
| Pubbl/distr/stampa | Washington, DC : , : National Aeronautics and Space Administration, Scientific and Technical Information Branch, , March 1982 |
| Descrizione fisica | 1 online resource (approximately 16 pages) : illustrations |
| Collana | NASA/TP |
| Soggetto topico |
Outgassing
Orbitals Molecular orbitals Vacuum technology |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910717089303321 |
|
Outlaw R. A.
|
||
| Washington, DC : , : National Aeronautics and Space Administration, Scientific and Technical Information Branch, , March 1982 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]]
| Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]] |
| Autore | Nguyên Trong Anh <1935-> |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 |
| Descrizione fisica | 1 online resource (xiv, 287 p. ) : ill. ; |
| Disciplina | 541/.224 |
| Soggetto topico |
Molecular orbitals
Physical organic chemistry |
| Soggetto genere / forma | Electronic books |
| ISBN | 0-470-06570-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CHAPTER I. What can we do with Frontier Orbitals? -- CHAPTER II. Atomic and molecular orbitals -- CHAPTER III. The perturbation method -- CHAPTER IV. Absolute and relative reactivities -- CHAPTER V. Regioselectivity -- CHAPTER VI. Stereoselectivity -- CHAPTER VII. Some structural problems -- CHAPTER VIII. Going further |
| Record Nr. | UNINA-9910144320903321 |
|
Nguyên Trong Anh <1935->
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]]
| Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]] |
| Autore | Nguyên Trong Anh <1935-> |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 |
| Descrizione fisica | 1 online resource (xiv, 287 p. ) : ill. ; |
| Disciplina | 541/.224 |
| Soggetto topico |
Molecular orbitals
Physical organic chemistry |
| ISBN | 0-470-06570-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CHAPTER I. What can we do with Frontier Orbitals? -- CHAPTER II. Atomic and molecular orbitals -- CHAPTER III. The perturbation method -- CHAPTER IV. Absolute and relative reactivities -- CHAPTER V. Regioselectivity -- CHAPTER VI. Stereoselectivity -- CHAPTER VII. Some structural problems -- CHAPTER VIII. Going further |
| Record Nr. | UNINA-9910830953803321 |
|
Nguyên Trong Anh <1935->
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]]
| Frontier orbitals : a practical manual / / Nguyen Trong Anh [[electronic resource]] |
| Autore | Nguyên Trong Anh <1935-> |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 |
| Descrizione fisica | 1 online resource (xiv, 287 p. ) : ill. ; |
| Disciplina | 541/.224 |
| Soggetto topico |
Molecular orbitals
Physical organic chemistry |
| ISBN | 0-470-06570-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CHAPTER I. What can we do with Frontier Orbitals? -- CHAPTER II. Atomic and molecular orbitals -- CHAPTER III. The perturbation method -- CHAPTER IV. Absolute and relative reactivities -- CHAPTER V. Regioselectivity -- CHAPTER VI. Stereoselectivity -- CHAPTER VII. Some structural problems -- CHAPTER VIII. Going further |
| Record Nr. | UNINA-9910877783603321 |
|
Nguyên Trong Anh <1935->
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons Ltd, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Imaging and manipulating molecular orbitals : proceedings of the 3rd AtMol International Workshop, Berlin, 24-25 September 2012 / / Leonhard Grill, Christian Joachim, editors
| Imaging and manipulating molecular orbitals : proceedings of the 3rd AtMol International Workshop, Berlin, 24-25 September 2012 / / Leonhard Grill, Christian Joachim, editors |
| Edizione | [1st ed. 2013.] |
| Pubbl/distr/stampa | Heidelberg ; ; New York, : Springer, c2013 |
| Descrizione fisica | 1 online resource (202 p.) |
| Disciplina | 530 |
| Altri autori (Persone) |
GrillLeonhard
JoachimC |
| Collana | Advances in atom and single molecule machines |
| Soggetto topico |
Molecular orbitals
Molecules |
| ISBN | 3-642-38809-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Observations of individual Cu-Phthalocyanine molecules deposited on nano-tips in the field emission microscope -- High voltage STM imaging of single Copper -- Motional Analysis of A Single Organic Molecule Using Nano Carbon Materials: Scope of Atomic Level Imaging and Spectroscopy -- Imaging orbitals by ionization or electron attachment: the role of Dyson orbitals -- Mapping the electronic resonances of single molecule STM tunnel junction -- Manipulation and spectroscopy of individual phthalocyanine molecules on InAs(111)A with a low-temperature scanning tunneling microscope -- Electronic Structure and Properties of Graphene Nanoribbons: zigzag and armchair edges -- Imaging and manipulation of molecular electronic states on metal surfaces with scanning tunneling microscopy -- SPM imaging of trinaphthylene molecular states on a hydrogen passivated Ge(001) surface -- STM Theory and image interpretation -- Simulations of constant current STM images of open-shell systems -- Electronic transmission through a single impurity in a multi-configuration scattering matrix approach -- Electron transport through a molecular junction using a multiconfigurational description -- Visualizing Electron Correlation in Molecules Using a Scanning Tunneling Microscope: Theory and Ab-Initio Prediction -- Submolecular Resolution Imaging of C60: From Orbital Density to Bond Order. |
| Record Nr. | UNINA-9910437812903321 |
| Heidelberg ; ; New York, : Springer, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular orbital calculations for biological systems [[electronic resource] /] / edited by Anne-Marie Sapse
| Molecular orbital calculations for biological systems [[electronic resource] /] / edited by Anne-Marie Sapse |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1998 |
| Descrizione fisica | 1 online resource (248 p.) |
| Disciplina |
541.280285
547.70448 547/.70448 |
| Altri autori (Persone) | SapseAnne-Marie |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Molecular orbitals
Biomolecules Peptides Amino acids Antineoplastic agents |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-756089-X
1-280-52822-2 9786610528226 0-19-535684-5 1-4294-0426-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Contents; Contributors; Introduction; 1 Ab Initio Calculations; 2 An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists; 3 The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions; 4 Applications of Density Functional Theory to Biological Systems; 5 On Comparing Experimental and Calculated Structural Parameters; 6 Ab Initio Studies of Anti-Cancer Drugs; 7 Ab Initio Calculations of Amino Acids and Peptides; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; R; S; T; U; V; W; X; Z |
| Record Nr. | UNINA-9910450829303321 |
| New York, : Oxford University Press, 1998 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular orbital calculations for biological systems [[electronic resource] /] / edited by Anne-Marie Sapse
| Molecular orbital calculations for biological systems [[electronic resource] /] / edited by Anne-Marie Sapse |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1998 |
| Descrizione fisica | 1 online resource (248 p.) |
| Disciplina |
541.280285
547.70448 547/.70448 |
| Altri autori (Persone) | SapseAnne-Marie |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Molecular orbitals
Biomolecules Peptides Amino acids Antineoplastic agents |
| ISBN |
0-19-756089-X
1-280-52822-2 9786610528226 0-19-535684-5 1-4294-0426-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Contents; Contributors; Introduction; 1 Ab Initio Calculations; 2 An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists; 3 The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions; 4 Applications of Density Functional Theory to Biological Systems; 5 On Comparing Experimental and Calculated Structural Parameters; 6 Ab Initio Studies of Anti-Cancer Drugs; 7 Ab Initio Calculations of Amino Acids and Peptides; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; R; S; T; U; V; W; X; Z |
| Record Nr. | UNINA-9910784807203321 |
| New York, : Oxford University Press, 1998 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular orbitals and organic chemical reactions / / Ian Fleming
| Molecular orbitals and organic chemical reactions / / Ian Fleming |
| Autore | Fleming Ian <1935-> |
| Edizione | [Reference ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley, 2010 |
| Descrizione fisica | 1 online resource (529 p.) |
| Disciplina | 547/.2 |
| Soggetto topico |
Molecular orbitals
Chemical bonds Physical organic chemistry |
| ISBN |
1-119-96467-9
1-282-55013-6 9786612550133 0-470-68949-8 0-470-68950-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
CONTENTS; Preface; 1 Molecular Orbital Theory; 1.1 The Atomic Orbitals of a Hydrogen Atom; 1.2 Molecules Made from Hydrogen Atoms; 1.3 C-H and C-C Bonds; 1.4 Conjugation-Hückel Theory; 1.5 Aromaticity; 1.6 Strained Bonds-Cyclopropanes and Cyclobutanes; 1.7 Heteronuclear Bonds, C-M, C-X and C=O; 1.8 The Tau Bond Model; 1.9 Spectroscopic Methods; 2 Molecular Orbitals and the Structures of Organic Molecules; 2.1 The Effects of Conjugation; 2.2 Hyperconjugation- Conjugation; 2.3 The Configurations and Conformations of Molecules; 2.4 The Effect of Conjugation on Electron Distribution
2.5 Other Noncovalent Interactions3 Chemical Reactions-How Far and How Fast; 3.1 Factors Affecting the Position of an Equilibrium; 3.2 The Principle of Hard and Soft Acids and Bases (HSAB); 3.3 Transition Structures; 3.4 The Perturbation Theory of Reactivity; 3.5 The Salem-Klopman Equation; 3.6 Hard and Soft Nucleophiles and Electrophiles; 3.7 Other Factors Affecting Chemical Reactivity; 4 Ionic Reactions-Reactivity; 4.1 Single Electron Transfer (SET) in Ionic Reactions; 4.2 Nucleophilicity; 4.3 Ambident Nucleophiles; 4.4 Electrophilicity; 4.5 Ambident Electrophiles; 4.6 Carbenes 5 Ionic Reactions-Stereochemistry5.1 The Stereochemistry of the FundamentalOrganic Reactions; 5.2 Diastereoselectivity; 6 Thermal Pericyclic Reactions; 6.1 The Four Classes of Pericyclic Reactions; 6.2 Evidence for the Concertedness of Bond Makingand Breaking; 6.3 Symmetry-allowed and Symmetry-forbidden Reactions; 6.4 Explanations for the Woodward-Hoffmann Rules; 6.5 Secondary Effects; 7 Radical Reactions; 7.1 Nucleophilic and Electrophilic Radicals; 7.2 The Abstraction of Hydrogen and Halogen Atoms; 7.3 The Addition of Radicals to Bonds 7.4 Synthetic Applications of the Chemoselectivity of Radicals7.5 Stereochemistry in some Radical Reactions; 7.6 Ambident Radicals; 7.7 Radical Coupling; 8 Photochemical Reactions; 8.1 Photochemical Reactions in General; 8.2 Photochemical Ionic Reactions; 8.3 Photochemical Pericyclic Reactions and Related Stepwise Reactions; 8.4 Photochemically Induced Radical Reactions; 8.5 Chemiluminescence; References; Index |
| Record Nr. | UNINA-9910139364603321 |
|
Fleming Ian <1935->
|
||
| Hoboken, N.J., : Wiley, 2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
