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Advanced Numerical Calculations for Sonochemical Processes / / by Slimane Merouani, Kyuichi Yasui, Oualid Hamdaoui, Aissa Dehane
| Advanced Numerical Calculations for Sonochemical Processes / / by Slimane Merouani, Kyuichi Yasui, Oualid Hamdaoui, Aissa Dehane |
| Autore | Merouani Slimane |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (520 pages) |
| Disciplina | 541 |
| Altri autori (Persone) |
YasuiKyuichi
HamdaouiOualid DehaneAissa |
| Collana | Physical Chemistry in Action |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry - Data processing Chemical engineering Acoustical engineering Physical Chemistry Computational Chemistry Chemical Engineering Engineering Acoustics |
| ISBN | 9783031991936 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The sonochemical process: An overview -- The Single-Bubble Sonochemistry: State of the art -- Bubble Dynamics and Influencing Factors -- Transfer phenomena and bubble dynamics -- Bubble sonochemistry and reaction pathways -- Transfer phenomena and reactions heat impacts on bubble sonochemistry -- Bubble energy and energy forms -- Bubble sonochemistry and dissolved gases -- Ambient pressure and bubble sonochemistry -- Solution temperature and bubble sonochemistry -- Bubble interactions with volatile solute species -- Bubble sonochemistry for probing the bubble size distribution -- Impact of dissolved volatile substrates on the range of ambient size for active bubbles -- Semi-Empirical Techniques for Determining the Bubble Number Density. |
| Record Nr. | UNINA-9911035053203321 |
Merouani Slimane
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Computational Modeling and Simulation / / edited by Rallapalli Srinivas, Rajesh Kumar, Mainak Dutta
| Advances in Computational Modeling and Simulation / / edited by Rallapalli Srinivas, Rajesh Kumar, Mainak Dutta |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (243 pages) |
| Disciplina | 003.3 |
| Collana | Lecture Notes in Mechanical Engineering |
| Soggetto topico |
Mathematics - Data processing
Mathematical models Chemistry - Data processing Computational Science and Engineering Mathematical Modeling and Industrial Mathematics Computational Chemistry |
| ISBN |
981-16-7857-X
981-16-7856-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Computation in Optimization and Control -- Multiscale and Multiphysics Modeling and Computation Analysis -- Environmental Modeling -- Modeling Approaches to Enterprise Systems and Services. |
| Record Nr. | UNINA-9910743235403321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXV Conference (Toruń, Poland, June 2022) / / edited by Ireneusz Grabowski, Karolina Słowik, Jean Maruani, Erkki J. Brändas
| Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXV Conference (Toruń, Poland, June 2022) / / edited by Ireneusz Grabowski, Karolina Słowik, Jean Maruani, Erkki J. Brändas |
| Autore | Grabowski Ireneusz |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (300 pages) |
| Disciplina | 530.12 |
| Altri autori (Persone) |
SłowikKarolina
MaruaniJean BrändasErkki J |
| Collana | Progress in Theoretical Chemistry and Physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry - Data processing Quantum chemistry Atoms Molecules Molecular dynamics Theoretical Chemistry Computational Chemistry Quantum Chemistry Atomic, Molecular and Chemical Physics Molecular Dynamics |
| ISBN | 3-031-52078-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part I. General Theory -- Landauer’s Principle and Thermodynamics -- On the Majorana Solution to the Thomas-Fermi Equation -- Spherically Averaged Densities as Basic DFT Variables -- Linear-Expansion Shooting Techniques Based on Minimization of Intra-Iteration Errors -- Part II. Atomic Systems -- Erfonium: A Hooke Atom with Soft Interaction Potential -- Spectroscopy of Radiative Decay Processes in Atomic Systems in a Black-body Radiation Field -- Relativistic Many-Body Perturbation Theory Approach to Computing Spectra of Complex Atomic Systems: Spectral Data for Ne-like Ions -- Relativistic Quantum Chemistry and Spectroscopy of Pionic Atomic Systems: Hyperfine Structure -- Part III. Molecular Systems -- Low-Cost Generation of Optimal Molecular Orbitals for Multi-Reference CI Expansion: Natural Orbitals versus Rényi Entropy-Minimized Orbitals Provided by the Density-Matrix Renormalization Group -- Formally Exact Many-Body Perturbation Theory with Optimized Zeroth Approximation in Calculations of Spectral Parameters of Diatomic Molecules -- Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations -- Designing an Iron-Based Bis(pyridyl)borate Complex Catalyst for Ammonia-Borane Dehydrogenation using Density Functional Theory -- Theoretical Investigation of Cl2, ClO and Cl2O Molecules -- Part IV. Biochemistry and Biophysics -- An Improved Fragmentation Modeling Aminoacids Under Ionizing Radiation. I. Threonine -- Computational Investigation of the Influence of the Acyl Group on the Reducing Abilities of Acylphloroglucinols -- Integrated in-Silico Drug Modeling for Viral Proteins. |
| Record Nr. | UNINA-9910865272903321 |
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Grabowski Ireneusz
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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AI in Drug Discovery : First International Workshop, AIDD 2024, Held in Conjunction with ICANN 2024, Lugano, Switzerland, September 19, 2024, Proceedings / / edited by Djork-Arné Clevert, Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
| AI in Drug Discovery : First International Workshop, AIDD 2024, Held in Conjunction with ICANN 2024, Lugano, Switzerland, September 19, 2024, Proceedings / / edited by Djork-Arné Clevert, Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XXXVIII, 176 p. 50 illus., 49 illus. in color.) |
| Disciplina | 006.3 |
| Collana | Lecture Notes in Computer Science |
| Soggetto topico |
Artificial intelligence
Data mining Chemistry - Data processing Artificial Intelligence Data Mining and Knowledge Discovery Computational Chemistry |
| ISBN |
9783031723810
3031723813 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910890900403321 |
| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Anwendung der Hochtemperaturgasphasenwaage zur Untersuchung der Phasenbildung / / von Robert Heinemann
| Anwendung der Hochtemperaturgasphasenwaage zur Untersuchung der Phasenbildung / / von Robert Heinemann |
| Autore | Heinemann Robert |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Wiesbaden : , : Springer Fachmedien Wiesbaden : , : Imprint : Springer Spektrum, , 2017 |
| Descrizione fisica | 1 online resource (XVII, 94 S. 70 Abb.) |
| Disciplina | 546 |
| Collana | BestMasters |
| Soggetto topico |
Chemistry, Inorganic
Chemistry, Physical and theoretical Chemistry - Data processing Inorganic Chemistry Physical Chemistry Computational Chemistry |
| ISBN | 3-658-16794-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ger |
| Record Nr. | UNINA-9910158667803321 |
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Heinemann Robert
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| Wiesbaden : , : Springer Fachmedien Wiesbaden : , : Imprint : Springer Spektrum, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Chemometrics with R : Multivariate Data Analysis in the Natural and Life Sciences / / by Ron Wehrens
| Chemometrics with R : Multivariate Data Analysis in the Natural and Life Sciences / / by Ron Wehrens |
| Autore | Wehrens Ron |
| Edizione | [2nd ed. 2020.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (XVI, 308 p. 111 illus., 82 illus. in color.) |
| Disciplina | 543.015195 |
| Collana | Use R! |
| Soggetto topico |
Biometry
Statistics Chemistry - Data processing Bioinformatics Biostatistics Statistics in Engineering, Physics, Computer Science, Chemistry and Earth Sciences Statistical Theory and Methods Computational Chemistry |
| ISBN | 3-662-62027-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction. - Data -- Preprocessing -- Principal Component Analysis -- Self-Organizing Maps. - Clustering -- Classification -- Multivariate Regression. - Validation -- Variable Selection -- Chemometric Applications. |
| Record Nr. | UNINA-9910484029503321 |
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Wehrens Ron
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| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Methods for the Analysis of Non-Covalent Interactions / / edited by Carlos Martín-Fernández, Stuart A. Macgregor
| Computational Methods for the Analysis of Non-Covalent Interactions / / edited by Carlos Martín-Fernández, Stuart A. Macgregor |
| Autore | Martín-Fernández Carlos |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (446 pages) |
| Disciplina | 542.85 |
| Altri autori (Persone) | MacgregorStuart A |
| Collana | Structure and Bonding |
| Soggetto topico |
Chemistry - Data processing
Quantum chemistry Coordination compounds Organometallic chemistry Chemistry, Inorganic Bioinorganic chemistry Computational Chemistry Quantum Chemistry Coordination Chemistry Organometallic Chemistry Main-Group Chemistry Bioinorganic Chemistry |
| ISBN | 9783032015433 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Interpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method -- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications -- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations -- GKS EDA method for intermolecular interactions in complex systems -- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost -- Survey of contemporary applications of Quantum Chemical Topology -- The Interpenetration Index and its applications in chemistry -- Exhibiting noncovalent interactions in dynamic environments using aIGM method. |
| Record Nr. | UNINA-9911035051403321 |
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Martín-Fernández Carlos
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Modelling of Molecular Nanomagnets / / edited by Gopalan Rajaraman
| Computational Modelling of Molecular Nanomagnets / / edited by Gopalan Rajaraman |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (507 pages) |
| Disciplina | 546.2242 |
| Altri autori (Persone) | RajaramanGopalan |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Coordination compounds
Magnetic materials Chemistry - Data processing Quantum theory Computer simulation Coordination Chemistry Magnetic Materials Computational Chemistry Quantum Simulations |
| ISBN | 3-031-31038-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Ab initio investigation of anisotropic magnetism and magnetization blocking in metal complexes -- Analytical derivations for the description of magnetic anisotropy in transition metal complexes -- Calculations of Magnetic Exchange in Multinuclear Compounds -- Exact diagonalization techniques for quantum spin systems -- Modeling magnetic properties of actinide complexes -- Spin-Phonon Relaxation in Magnetic Molecules: Theory, Predictions and Insights -- Ab initio Modelling of Lanthanide Based Molecular Magnets: Where to from Here? -- Molecular Magnets on Surfaces: in silico recipes for a successful marriage -- Theoretical Approaches for Electron Transport through Magnetic Molecules. |
| Record Nr. | UNINA-9910736988503321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Copolymerization : Toward a Systematic Approach / / by Cornel Hagiopol
| Copolymerization : Toward a Systematic Approach / / by Cornel Hagiopol |
| Autore | Hagiopol Cornel |
| Edizione | [1st ed. 1999.] |
| Pubbl/distr/stampa | New York, NY : , : Springer US : , : Imprint : Springer, , 1999 |
| Descrizione fisica | 1 online resource (XI, 228 p.) |
| Disciplina | 541.2254 |
| Soggetto topico |
Polymers
Chemistry - Data processing Chemistry, Technical Computational Chemistry Industrial Chemistry |
| ISBN | 1-4615-4183-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Binary Copolymerization -- 1.1. Copolymers and Copolymerization Processes -- 1.2. The Terminal Kinetic Model: The Copolymer Composition Equation -- 1.3. Copolymerization Reaction Types -- 1.4. The Integral Form of the Copolymerization Equation -- 1.5. Use of the Differential and Integral Forms of the Mayo—Lewis Equation to Describe Copolymerization Processes -- 2. Estimation of Reactivity Ratios -- 2.1. Analysis of Experimental Data -- 2.2. How Consistent Are Existing Reactivity Ratios? -- 2.3. Differential Methods for Calculating Reactivity Ratios -- 2.4. Preliminary Remarks on an Experimental Strategy for Estimating Reactivity Ratios -- 2.5. Shortcomings of Differential Methods when Conversion Is Taken into Account -- 2.6. Estimation of Reactivity Ratios when Conversion Values Are Taken into Account -- 2.7. The Use of Composition versus Conversion Data in Estimating Reactivity Ratios -- 2.8. Recalculated Values for Reactivity Ratios -- 2.9. Experimental Errors and Effectiveness of theQ—eScheme -- 3. Ternary Copolymerization -- 3.1. The Terminal Kinetic Model: The Alfrey—Goldfinger Equation. -- 3.2. Estimation of Reactivity Ratios Directly from Ternary Copolymerization Data -- 3.3. Azeotropy with Ternary Copolymerization -- 3.4. Consistency of Reactivity Ratio Values Used in Ternary Copolymerization -- 3.5. Do Ternary Azeotropes Exist? (Pseudoazeotropy) -- 4. Going Beyond the Limits of the Terminal Model -- 4.1. The Extent to Which the Mayo—Lewis Equation Can Fit All Copolymerization Data -- 4.2. Higher Order Kinetic Models -- 4.3. The Potential of Experimental Composition Data -- 4.4. Optimal Experimental Design for Estimating Reactivity Ratios -- 4.5. Model Discrimination -- 4.6. Generalized Kinetic Model for Binary Copolymerization -- 5. Homogeneous and HeterogeneousCopolymerization -- 5.1. Copolymerization within Initially Homogeneous Systems -- 5.2. Emulsion Copolymerization -- 5.3. Copolymer Composition and the Mechanism of Emulsion Copolymerization -- 6. Running a Copolymerization Process. |
| Record Nr. | UNINA-9910967033103321 |
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Hagiopol Cornel
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| New York, NY : , : Springer US : , : Imprint : Springer, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Correlation of Modelled Atmospheric Deposition of Cadmium, Mercury and Lead with the Measured Enrichment of these Elements in Moss / / by Stefan Nickel, Winfried Schröder, Ilia Ilyin, Oleg Travnikov
| Correlation of Modelled Atmospheric Deposition of Cadmium, Mercury and Lead with the Measured Enrichment of these Elements in Moss / / by Stefan Nickel, Winfried Schröder, Ilia Ilyin, Oleg Travnikov |
| Autore | Nickel Stefan |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (96 pages) |
| Disciplina | 363.7392 |
| Soggetto topico |
Geochemistry
Biogeography Atmospheric science Geographic information systems Chemistry - Data processing Biogeosciences Atmospheric Science Geographical Information System Computational Chemistry |
| ISBN |
9783031256363
9783031256356 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Foreword -- Chapter 1 Background and aims -- Chapter 2 Materials and Methods -- Chapter 3 Results -- Chapter 4 Conclusions. |
| Record Nr. | UNINA-9910720083203321 |
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Nickel Stefan
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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