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The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (544 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds |
| ISBN |
3-527-66467-X
3-527-66465-3 3-527-66468-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910132214803321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (411 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds - Study and teaching |
| ISBN |
3-527-66471-8
3-527-66469-6 3-527-66472-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910132214503321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (544 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds |
| ISBN |
3-527-66467-X
3-527-66465-3 3-527-66468-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910816449003321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (411 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds - Study and teaching |
| ISBN |
3-527-66471-8
3-527-66469-6 3-527-66472-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910809943103321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Quantum frontiers of atoms and molecules [[electronic resource] /] / editor, Mihai V. Putz
| Quantum frontiers of atoms and molecules [[electronic resource] /] / editor, Mihai V. Putz |
| Pubbl/distr/stampa | Hauppauge, N.Y., : Nova Science Publishers, c2011 |
| Descrizione fisica | 1 online resource (687 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | PutzMihai V |
| Collana | Chemistry research and applications |
| Soggetto topico |
Chemical bonds - Mathematical models
Dirac equation Quantum chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN | 1-61324-867-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""1. Why a Reappraisal Is Necessary """"2. The Relevance of the Classical Framework ""; ""3. On the Two Kinds of Incompatibility ""; ""4. Wholeness and the Proper Logic for Complementarity ""; ""5. The Reduction of Duality ""; ""References ""; ""COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHR�S THOUGHT""; ""Abstract ""; ""1. Complementarity Contextualized ""; ""2. Complementarity: A Stumbling Block on the Way to Context ""; ""3. The Duality Route to Context ""; ""4. Incommensurability: Last Resort�and Last Exit ""; ""5. The Concept of Action Quantization ""
""6. Tying Loose Ends """"Appendix ""; ""Notes ""; ""References ""; ""MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT DEVELOPMENTS""; ""Abstract""; ""1.Introduction""; ""2.Early History of the Slater Orbitals""; ""3.History of the STO Computer Programs""; ""4.Slater Orbitals & Gaussian Orbitals""; ""5.Types of Exponentially Decaying Orbital, Based on Eigen-functions for One-Electron Atoms""; ""6.Types of Integral over Slater Orbitals""; ""6.1.One-Electron Integrals""; ""6.2.Two-Electron Integrals""; ""6.3.Three- and Four-Electron Integrals"" ""7.Methods in the Literature""""7.1.Single-Center Expansion""; ""7.2.Gaussian Expansion""; ""7.3.Gaussian Transform Method""; ""7.4.Fourier-Transform Method""; ""7.5.Use of Sturmians""; ""7.6.Elliptic Coordinate Method""; ""8.General Two-electron Exponential Type Orbital Integrals in Poly-Atomics without Orbital Translations""; ""8.1.Introduction""; ""8.2.Basis Sets""; ""8.3.Programming Strategy""; ""8.4.Avoiding ETO Translations for Two-Electron Integrals over Three and Four Centers""; ""8.5.Numerical Results of Coulomb Resolutions: Efficiency"" ""8.6.Selected Exchange Integrals for the CH3F Molecule (Evaluated Using the Coulomb Resolution)""""8.7.Conclusions""; ""9.Explicitly Correlated Methods for Molecules""; ""10.Highly Accurate Calculations Using STOs""; ""11.Closing Remarks""; ""Acknowledgements""; ""References""; ""TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS""; ""Abstract""; ""1.Introduction""; ""2.Historical Development""; ""A.Tunneling in Physics""; ""B.Tunneling in Chemistry""; ""C.Tunneling in Coupled Systems""; ""3.The Method""; ""A.Dynamics of the Coupled System in the Absence of Driving"" ""B.Dynamics of the Coupled System in the Presence of External Driving"" |
| Record Nr. | UNINA-9910457028503321 |
| Hauppauge, N.Y., : Nova Science Publishers, c2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Quantum frontiers of atoms and molecules [[electronic resource] /] / editor, Mihai V. Putz
| Quantum frontiers of atoms and molecules [[electronic resource] /] / editor, Mihai V. Putz |
| Pubbl/distr/stampa | Hauppauge, N.Y., : Nova Science Publishers, c2011 |
| Descrizione fisica | 1 online resource (687 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | PutzMihai V |
| Collana | Chemistry research and applications |
| Soggetto topico |
Chemical bonds - Mathematical models
Dirac equation Quantum chemistry |
| ISBN | 1-61324-867-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""1. Why a Reappraisal Is Necessary """"2. The Relevance of the Classical Framework ""; ""3. On the Two Kinds of Incompatibility ""; ""4. Wholeness and the Proper Logic for Complementarity ""; ""5. The Reduction of Duality ""; ""References ""; ""COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHR�S THOUGHT""; ""Abstract ""; ""1. Complementarity Contextualized ""; ""2. Complementarity: A Stumbling Block on the Way to Context ""; ""3. The Duality Route to Context ""; ""4. Incommensurability: Last Resort�and Last Exit ""; ""5. The Concept of Action Quantization ""
""6. Tying Loose Ends """"Appendix ""; ""Notes ""; ""References ""; ""MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT DEVELOPMENTS""; ""Abstract""; ""1.Introduction""; ""2.Early History of the Slater Orbitals""; ""3.History of the STO Computer Programs""; ""4.Slater Orbitals & Gaussian Orbitals""; ""5.Types of Exponentially Decaying Orbital, Based on Eigen-functions for One-Electron Atoms""; ""6.Types of Integral over Slater Orbitals""; ""6.1.One-Electron Integrals""; ""6.2.Two-Electron Integrals""; ""6.3.Three- and Four-Electron Integrals"" ""7.Methods in the Literature""""7.1.Single-Center Expansion""; ""7.2.Gaussian Expansion""; ""7.3.Gaussian Transform Method""; ""7.4.Fourier-Transform Method""; ""7.5.Use of Sturmians""; ""7.6.Elliptic Coordinate Method""; ""8.General Two-electron Exponential Type Orbital Integrals in Poly-Atomics without Orbital Translations""; ""8.1.Introduction""; ""8.2.Basis Sets""; ""8.3.Programming Strategy""; ""8.4.Avoiding ETO Translations for Two-Electron Integrals over Three and Four Centers""; ""8.5.Numerical Results of Coulomb Resolutions: Efficiency"" ""8.6.Selected Exchange Integrals for the CH3F Molecule (Evaluated Using the Coulomb Resolution)""""8.7.Conclusions""; ""9.Explicitly Correlated Methods for Molecules""; ""10.Highly Accurate Calculations Using STOs""; ""11.Closing Remarks""; ""Acknowledgements""; ""References""; ""TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS""; ""Abstract""; ""1.Introduction""; ""2.Historical Development""; ""A.Tunneling in Physics""; ""B.Tunneling in Chemistry""; ""C.Tunneling in Coupled Systems""; ""3.The Method""; ""A.Dynamics of the Coupled System in the Absence of Driving"" ""B.Dynamics of the Coupled System in the Presence of External Driving"" |
| Record Nr. | UNINA-9910781657603321 |
| Hauppauge, N.Y., : Nova Science Publishers, c2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Quantum frontiers of atoms and molecules / / editor, Mihai V. Putz
| Quantum frontiers of atoms and molecules / / editor, Mihai V. Putz |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hauppauge, N.Y., : Nova Science Publishers, c2011 |
| Descrizione fisica | 1 online resource (687 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | PutzMihai V |
| Collana | Chemistry research and applications |
| Soggetto topico |
Chemical bonds - Mathematical models
Dirac equation Quantum chemistry |
| ISBN | 1-61324-867-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""1. Why a Reappraisal Is Necessary """"2. The Relevance of the Classical Framework ""; ""3. On the Two Kinds of Incompatibility ""; ""4. Wholeness and the Proper Logic for Complementarity ""; ""5. The Reduction of Duality ""; ""References ""; ""COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHR�S THOUGHT""; ""Abstract ""; ""1. Complementarity Contextualized ""; ""2. Complementarity: A Stumbling Block on the Way to Context ""; ""3. The Duality Route to Context ""; ""4. Incommensurability: Last Resort�and Last Exit ""; ""5. The Concept of Action Quantization ""
""6. Tying Loose Ends """"Appendix ""; ""Notes ""; ""References ""; ""MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT DEVELOPMENTS""; ""Abstract""; ""1.Introduction""; ""2.Early History of the Slater Orbitals""; ""3.History of the STO Computer Programs""; ""4.Slater Orbitals & Gaussian Orbitals""; ""5.Types of Exponentially Decaying Orbital, Based on Eigen-functions for One-Electron Atoms""; ""6.Types of Integral over Slater Orbitals""; ""6.1.One-Electron Integrals""; ""6.2.Two-Electron Integrals""; ""6.3.Three- and Four-Electron Integrals"" ""7.Methods in the Literature""""7.1.Single-Center Expansion""; ""7.2.Gaussian Expansion""; ""7.3.Gaussian Transform Method""; ""7.4.Fourier-Transform Method""; ""7.5.Use of Sturmians""; ""7.6.Elliptic Coordinate Method""; ""8.General Two-electron Exponential Type Orbital Integrals in Poly-Atomics without Orbital Translations""; ""8.1.Introduction""; ""8.2.Basis Sets""; ""8.3.Programming Strategy""; ""8.4.Avoiding ETO Translations for Two-Electron Integrals over Three and Four Centers""; ""8.5.Numerical Results of Coulomb Resolutions: Efficiency"" ""8.6.Selected Exchange Integrals for the CH3F Molecule (Evaluated Using the Coulomb Resolution)""""8.7.Conclusions""; ""9.Explicitly Correlated Methods for Molecules""; ""10.Highly Accurate Calculations Using STOs""; ""11.Closing Remarks""; ""Acknowledgements""; ""References""; ""TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS""; ""Abstract""; ""1.Introduction""; ""2.Historical Development""; ""A.Tunneling in Physics""; ""B.Tunneling in Chemistry""; ""C.Tunneling in Coupled Systems""; ""3.The Method""; ""A.Dynamics of the Coupled System in the Absence of Driving"" ""B.Dynamics of the Coupled System in the Presence of External Driving"" |
| Record Nr. | UNINA-9910809873003321 |
| Hauppauge, N.Y., : Nova Science Publishers, c2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
