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Advances in Design, Simulation and Manufacturing [[electronic resource] ] : Proceedings of the International Conference on Design, Simulation, Manufacturing: The Innovation Exchange, DSMIE-2018, June 12-15, 2018, Sumy, Ukraine / / edited by Vitalii Ivanov, Yiming Rong, Justyna Trojanowska, Joachim Venus, Oleksandr Liaposhchenko, Jozef Zajac, Ivan Pavlenko, Milan Edl, Dragan Perakovic
| Advances in Design, Simulation and Manufacturing [[electronic resource] ] : Proceedings of the International Conference on Design, Simulation, Manufacturing: The Innovation Exchange, DSMIE-2018, June 12-15, 2018, Sumy, Ukraine / / edited by Vitalii Ivanov, Yiming Rong, Justyna Trojanowska, Joachim Venus, Oleksandr Liaposhchenko, Jozef Zajac, Ivan Pavlenko, Milan Edl, Dragan Perakovic |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (XVI, 539 p. 298 illus.) |
| Disciplina | 670.42 |
| Collana | Lecture Notes in Mechanical Engineering |
| Soggetto topico |
Engineering design
Manufactures Chemistry, Physical and theoretical Multibody systems Vibration Mechanics, Applied Computer-aided engineering Engineering Design Machines, Tools, Processes Theoretical Chemistry Multibody Systems and Mechanical Vibrations Computer-Aided Engineering (CAD, CAE) and Design |
| ISBN | 3-319-93587-9 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910337626403321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 | ||
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| Lo trovi qui: Univ. Federico II | ||
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Binding Phenomena [[electronic resource] ] : General Description and Analytical Applications / / by Waldemar A. Marmisollé, Dionisio Posadas
| Binding Phenomena [[electronic resource] ] : General Description and Analytical Applications / / by Waldemar A. Marmisollé, Dionisio Posadas |
| Autore | Marmisollé Waldemar A |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (190 pages) |
| Disciplina | 541.224 |
| Altri autori (Persone) | PosadasDionisio |
| Collana | Physical Chemistry in Action |
| Soggetto topico |
Physical chemistry
Analytical chemistry Chemistry, Physical and theoretical Distribution (Probability theory) Physical Chemistry Analytical Chemistry Theoretical Chemistry Distribution Theory |
| ISBN | 3-031-39736-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Binding to simple substrates with one binding site -- One substrate with two different binding sites. Competitive binding. Two different binding species. Two different binding substrates -- Titration of simple substrates -- Continuous Distribution Functions. Cumulative and Density Distribution Functions. Known Examples -- Elements of adsorption on heterogeneous substrates -- Theoretical bases for the interpretation of the titration curves of macromolecules -- Acid-Base equilibria at complex substrates. Polyacids and Polybases -- Acid-Base Titration of complex substrates -- The Acid-Base Behaviour of Polyampholytes. The Case of Colloidal Oxides -- Titration of polyampholytes. Polyzwitterions and other examples -- Electron titrations of electrochemically active Macromolecules -- Appendices. |
| Record Nr. | UNINA-9910767505803321 |
Marmisollé Waldemar A
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Emerging Materials and Environment [[electronic resource] /] / edited by Manoj Shukla, Elizabeth Ferguson, Jerzy Leszczynski
| Emerging Materials and Environment [[electronic resource] /] / edited by Manoj Shukla, Elizabeth Ferguson, Jerzy Leszczynski |
| Autore | Shukla Manoj |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (331 pages) |
| Disciplina | 620.11 |
| Altri autori (Persone) |
FergusonElizabeth
LeszczynskiJerzy |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Materials science Environmental chemistry Microtechnology Microelectromechanical systems Theoretical Chemistry Materials Science Environmental Chemistry Microsystems and MEMS |
| ISBN | 3-031-39470-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Emerging Materials and Environment: A Brief Introduction -- A Generalized Force-Modified Potential Energy Surface (G-FMPES) for Mechanochemical Simulations -- Chemometric Modeling of Emerging Materials for the Removal of Environmental Pollutants -- Ionic Liquids and Halloysite Nanotubes: Emerging Environmental chemicals of concern -- New frontiers for heterostructured nanocomposites with interfacial functionalities synthesized via laser ablation synthesis in solution (LASiS) -- Recent mechanistic insights into some enzyme mimetic functions of ceria -- Emerging 2D Materials Based Nanoarchitecture for Water Purification -- Emergent Materials and Processes for Efficient Environmental Per- and Polyfluoroalkyl Substances Containment -- Life Cycle Considerations for Per- and Polyfluoroalkyl Substances (PFASs) and the Evolution of Society’s Perspective on Their Usage. |
| Record Nr. | UNINA-9910760294503321 |
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Shukla Manoj
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Group Theory Applied to Chemistry [[electronic resource] /] / by Arnout Jozef Ceulemans
| Group Theory Applied to Chemistry [[electronic resource] /] / by Arnout Jozef Ceulemans |
| Autore | Ceulemans Arnout Jozef |
| Edizione | [2nd ed. 2024.] |
| Pubbl/distr/stampa | Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (352 pages) |
| Disciplina | 541.2 |
| Collana | Theoretical Chemistry and Computational Modelling |
| Soggetto topico |
Chemistry, Physical and theoretical
Crystallography Inorganic chemistry Theoretical Chemistry Crystallography and Scattering Methods Inorganic Chemistry |
| ISBN | 94-024-2245-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Operations -- Function Spaces and Matrices -- Groups -- Representations -- What has Quantum Chemistry Got to Do with It? -- Interactions -- Spherical Symmetry and Spins -- Line Groups and Plane Groups. |
| Record Nr. | UNINA-9910847576103321 |
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Ceulemans Arnout Jozef
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| Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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High Performance Computing in Science and Engineering '21 [[electronic resource] ] : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2021 / / edited by Wolfgang E. Nagel, Dietmar H. Kröner, Michael M. Resch
| High Performance Computing in Science and Engineering '21 [[electronic resource] ] : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2021 / / edited by Wolfgang E. Nagel, Dietmar H. Kröner, Michael M. Resch |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (516 pages) |
| Disciplina | 004.11 |
| Soggetto topico |
Mathematics—Data processing
Mathematical physics Engineering mathematics Engineering—Data processing Chemistry, Physical and theoretical Computer science—Mathematics Computational Science and Engineering Theoretical, Mathematical and Computational Physics Mathematical and Computational Engineering Applications Theoretical Chemistry Mathematical Applications in Computer Science Càlcul intensiu (Informàtica) |
| Soggetto genere / forma |
Congressos
Llibres electrònics |
| ISBN | 3-031-17937-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part I Physics -- Part II Molecules, Interfaces, and Solids -- Part III Reactive Flows -- Part IV Computational Fluid Dynamics -- Part V Transport and Climate -- Part VI Computer Science -- Part VII Miscellaneous Topics. |
| Record Nr. | UNINA-9910647397803321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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An Introduction to Chemistry [[electronic resource] /] / by Michael Mosher, Paul Kelter
| An Introduction to Chemistry [[electronic resource] /] / by Michael Mosher, Paul Kelter |
| Autore | Mosher Michael D. |
| Edizione | [2nd ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (XIX, 1067 p. 1326 illus., 866 illus. in color.) |
| Disciplina | 540 |
| Soggetto topico |
Chemistry
Chemistry—Study and teaching Physical chemistry Chemistry, Physical and theoretical Chemistry, Organic Inorganic chemistry Chemistry Education Physical Chemistry Theoretical Chemistry Organic Chemistry Inorganic Chemistry |
| ISBN | 3-030-90267-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The World of Chemistry -- Atoms: A Quest for Understanding -- Intro Quant Chemistry -- Soln Stoich and Types -- Energy -- Quantum Chem -- Elements -- Bonding Basics -- Adv Models of Bonding -- Gases -- Liquids, Solids, and InterMolecular Forces -- Solutions and Properties -- Kinetics -- Chemical Equilibrium -- Acids and Bases -- Aqueous Equilibria -- Thermodynamics -- Electrochemistry -- Coordination Complexes -- Nuclear Chemistry -- Carbon -- Chemistry of Life -- Industrial Chemistry. |
| Record Nr. | UNINA-9910682569603321 |
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Mosher Michael D.
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Machine Learning in Molecular Sciences [[electronic resource] /] / edited by Chen Qu, Hanchao Liu
| Machine Learning in Molecular Sciences [[electronic resource] /] / edited by Chen Qu, Hanchao Liu |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (323 pages) |
| Disciplina | 006.31 |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Machine learning
Artificial intelligence Molecules - Models Chemistry, Physical and theoretical Chemistry - Data processing Bioinformatics Machine Learning Artificial Intelligence Molecular Modelling Theoretical Chemistry Computational Chemistry Computational and Systems Biology |
| ISBN | 3-031-37196-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | An Introduction to Machine Learning in Molecular Sciences -- Graph Neural Networks for Molecules -- Voxelized representations of atomic systems for machine learning applications -- Development of exchange-correlation functionals assisted by machine learning -- Machine-Learning for Static and Dynamic Electronic Structure Theory -- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions -- Machine Learning Applications in Chemical Kinetics and Thermochemistry -- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis -- Machine Learning for Protein Engineering. |
| Record Nr. | UNINA-9910746977103321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Mathematical Physical Chemistry [[electronic resource] ] : Practical and Intuitive Methodology / / by Shu Hotta
| Mathematical Physical Chemistry [[electronic resource] ] : Practical and Intuitive Methodology / / by Shu Hotta |
| Autore | Hotta Shu |
| Edizione | [3rd ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (xxiii, 1327 pages) : illustrations |
| Disciplina | 737 |
| Soggetto topico |
Chemistry, Physical and theoretical
Mathematical physics Physical chemistry Theoretical Chemistry Mathematical Methods in Physics Physical Chemistry Mathematical Physics |
| ISBN | 981-9925-12-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1. Schrödinger Equation and Its Application -- Chapter 2. Quantum-Mechanical Harmonic Oscillator -- Chapter 3. Hydrogen-Like Atoms -- Chapter 4. Optical Transition and Selection Rules -- Chapter 5. Approximation Methods of Quantum Mechanics -- Chapter 6. Theory of Analytic Functions -- Chapter 7. Maxwell’s Equations -- Chapter 8. Reflection and Transmission of Electromagnetic Waves in Dielectric Media -- Chapter 9. Light Quanta: Radiation and Absorption -- Chapter 10. Introductory Green’s Functions -- Chapter 11. Vectors and Their Transformation -- Chapter 12. Canonical Forms of Matrices -- Chapter 13. Inner Product Space -- Chapter 14. Hermitian Operators and Unitary Operators -- Chapter 15. Exponential Functions of Matrices -- Chapter 16. Introductory Group Theory -- Chapter 17. Symmetry Groups -- Chapter 18. Representation Theory of Groups -- Chapter 19. Applications of Group Theory to Physical Chemistry -- Chapter 20.Theory of Continuous Groups -- Chapter 21. The Dirac Equation -- Chapter 22. Quantization of Fields -- Chapter 23. Interaction between Fields -- Chapter 24. Basic Formalism -- Chapter 25. Advanced Topics of Lie Algebra. |
| Record Nr. | UNINA-9910746977503321 |
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Hotta Shu
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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New Directions in the Modeling of Organometallic Reactions [[electronic resource] /] / edited by Agustí Lledós, Gregori Ujaque
| New Directions in the Modeling of Organometallic Reactions [[electronic resource] /] / edited by Agustí Lledós, Gregori Ujaque |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (IX, 269 p. 1 illus.) |
| Disciplina | 547.05 |
| Collana | Topics in Organometallic Chemistry |
| Soggetto topico |
Organometallic chemistry
Chemistry, Physical and theoretical Catalysis Organometallic Chemistry Theoretical Chemistry |
| ISBN | 3-030-56996-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | What Makes a Good (Computed) Energy Profile?- Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations -- Artificial Force Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions -- DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry -- A Quantitative Approach to Understanding Reactivity in Organometallic Chemistry -- Computational Modeling of Selected Photoactivated Processes -- Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches -- Dealing with Spin States in Computational Organometallic Catalysis -- Characterizing the Metal Ligand Bond Strength via Vibrational Spectroscopy: The Metal Ligand Electronic Parameter MLEP. |
| Record Nr. | UNINA-9910426043603321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Next Generation Quantum Theory of Atoms in Molecules [[electronic resource] ] : From Stereochemistry to Photochemistry and Molecular Devices / / by Samantha Jenkins, Steven Robert Kirk
| Next Generation Quantum Theory of Atoms in Molecules [[electronic resource] ] : From Stereochemistry to Photochemistry and Molecular Devices / / by Samantha Jenkins, Steven Robert Kirk |
| Autore | Jenkins Samantha |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (237 pages) |
| Disciplina | 050 |
| Collana | Lecture Notes in Chemistry |
| Soggetto topico |
Quantum chemistry
Chemistry, Physical and theoretical Chemistry - Data processing Chemical structure Photochemistry Quantum Chemistry Theoretical Chemistry Computational Chemistry Structure And Bonding |
| ISBN | 981-9903-29-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction to Computational Quantum Chemistry -- Exploring the Topological Origins of QTAIM -- Bridging Scalar QTAIM and Vector-Based Next Generation QTAIM -- The NG-QTAIM Interpretation of the Chemical Bond. |
| Record Nr. | UNINA-9910734857503321 |
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Jenkins Samantha
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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