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AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials / / edited by German Sastre and Frits Daeyaert
| AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials / / edited by German Sastre and Frits Daeyaert |
| Autore | Sastre German |
| Edizione | [First edition.] |
| Pubbl/distr/stampa | Hoboken, NJ : , : John Wiley & Sons Ltd, , [2023] |
| Descrizione fisica | xxvi, 431 pages : color illustrations ; ; 27 cm |
| Disciplina | 539.12 |
| Soggetto topico |
Molecules - Models
Artificial intelligence |
| ISBN |
1-119-81978-4
1-119-81976-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The confluence of organo-cations, inorganic species, and molecular modeling on the discovery of new zeolite structures and compositions / Christopher M. Lew, Dan Xie, Joel E. Schmidt, Saleh Elomari, Tracy M. Davis, and Stacey I. Zones -- Efficient data utilization in training machine learning models for nanoporous materials screening / Jiham Kim. |
| Record Nr. | UNINA-9910829950803321 |
Sastre German
|
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| Hoboken, NJ : , : John Wiley & Sons Ltd, , [2023] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
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 | ||
| ||
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 | ||
| ||
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 | ||
| ||
Introduction to molecular spectroscopy / Gordon M. Barrow
| Introduction to molecular spectroscopy / Gordon M. Barrow |
| Autore | Barrow, Gordon M. |
| Pubbl/distr/stampa | Auckland : McGraw-Hill, 1962 |
| Descrizione fisica | XIII, 318 p. : ill. ; 21 cm. |
| Disciplina |
543.0858
539.12 |
| Soggetto topico | Spettroscopia molecolare |
| ISBN | 0-07-085904-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNIBAS-000012458 |
|
Barrow, Gordon M.
|
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| Auckland : McGraw-Hill, 1962 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. della Basilicata | ||
| ||
Journal of computer-aided molecular design
| Journal of computer-aided molecular design |
| Pubbl/distr/stampa | [Dordrecht], : Kluwer Academic Publishers, 1987- |
| Disciplina | 539.12 |
| Soggetto topico |
Molecules - Models
Computer-aided design Drugs - Design Developmental pharmacology Molecular Biology Molecular Conformation Biomedical Engineering Computer Simulation Molécules - Modèles Conception assistée par ordinateur |
| Soggetto genere / forma |
Periodical
Periodicals. |
| ISSN | 1573-4951 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Computer-aided molecular design |
| Record Nr. | UNINA-9910146475203321 |
| [Dordrecht], : Kluwer Academic Publishers, 1987- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Journal of computer-aided molecular design
| Journal of computer-aided molecular design |
| Pubbl/distr/stampa | [Dordrecht], : Kluwer Academic Publishers, 1987- |
| Disciplina | 539.12 |
| Soggetto topico |
Molecules - Models
Computer-aided design Drugs - Design Developmental pharmacology Molecular Biology Molecular Conformation Biomedical Engineering Computer Simulation Molécules - Modèles Conception assistée par ordinateur |
| Soggetto genere / forma |
Periodical
Periodicals. |
| ISSN | 1573-4951 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Computer-aided molecular design |
| Record Nr. | UNISA-996212450103316 |
| [Dordrecht], : Kluwer Academic Publishers, 1987- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Molecole e cristalli / Enrico Fermi
| Molecole e cristalli / Enrico Fermi |
| Autore | Fermi, Enrico |
| Edizione | [Rist. anast] |
| Pubbl/distr/stampa | Bologna, : Zanichelli, 1982 |
| Descrizione fisica | 301 p. : ill. ; 24 cm |
| Disciplina | 539.12 |
| Soggetto topico |
Meccanica quantistica
MOLECOLA - Struttura |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ita |
| Record Nr. | UNISANNIO-RAV0046313 |
|
Fermi, Enrico
|
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| Bologna, : Zanichelli, 1982 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Sannio | ||
| ||
Moleküle 2.
| Moleküle 2. |
| Pubbl/distr/stampa | Berlin : Springer-Verlag, 1961 |
| Descrizione fisica | VI, 303 p. : ill. ; 25 cm |
| Disciplina | 539.12 |
| Soggetto non controllato | Molecola |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ger |
| Record Nr. | UNINA-990008201890403321 |
| Berlin : Springer-Verlag, 1961 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The nature of the elementary particles / Malcolm H. MacGregor
| The nature of the elementary particles / Malcolm H. MacGregor |
| Autore | Macgregor, Malcolm H. |
| Pubbl/distr/stampa | Berlin [etc.] : Springer-Verlag, 1978 |
| Descrizione fisica | XXII, 482 p. : ill. ; 25 cm |
| Disciplina |
539.12
539.72 539.725 |
| Collana | Lecture notes in physics ; 81 |
| ISBN | 3870888571 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991002264799707536 |
|
Macgregor, Malcolm H.
|
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| Berlin [etc.] : Springer-Verlag, 1978 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
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