Equilibrium Structure of Free Molecules : Theory, Experiment, and Data Analysis / / by Natalja Vogt, Jean Demaison |
Autore | Vogt Natalja |
Edizione | [1st ed. 2023.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
Descrizione fisica | 1 online resource (482 pages) |
Disciplina | 541.22 |
Altri autori (Persone) | DemaisonJean |
Collana | Lecture Notes in Chemistry |
Soggetto topico |
Quantum chemistry
Atomic structure Molecular structure Molecular spectroscopy Electrons - Diffraction Instrumental analysis Spectrum analysis Quantum Chemistry Atomic and Molecular Structure and Properties Molecular Spectroscopy Diffraction Spectroscopy |
ISBN | 3-031-36045-1 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Introduction -- Quantum Chemical Methods -- Rovibrational Spectroscopy and Structure of Diatomic Molecules -- Rotational Constants of a Polyatomic Molecule -- Equilibrium Structures of Semirigid Molecules from the Rotational Constants -- Structure of Nonrigid Molecules by Spectroscopic Methods -- Equilibrium Molecular Structure as Determined by Gas-phase Electron Diffraction -- Other Methods, Mainly for the X–H bond (X = C, N, O) -- Database with Equilibrium Structures of Free Molecules. |
Record Nr. | UNINA-9910770270803321 |
Vogt Natalja | ||
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Forcefields for Atomistic-Scale Simulations: Materials and Applications / / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin |
Edizione | [1st ed. 2022.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
Descrizione fisica | 1 online resource (395 pages) |
Disciplina | 531.6 |
Collana | Lecture Notes in Applied and Computational Mechanics |
Soggetto topico |
Materials science - Data processing
Molecular dynamics Nanotechnology Atomic structure Molecular structure Microclusters Atomistic Models Molecular Dynamics Atomic and Molecular Structure and Properties Atomic and Molecular Clusters |
ISBN | 981-19-3092-9 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | 1. Introduction to Forcefields -- 2. Forcefields for characterization of metals/metal alloys -- 3. Forcefields for characterization of nuclear materials -- 4. Forcefields and Atomistic insights to study high entropy alloys -- 5. Coarse-grained forcefields for anisotropically interacting particles -- 6. Forcefields for 2D nanomaterials (Graphene and h-BN) and the universal solvent “water” -- 7. Reactive forcefield (ReaxFF) for the combustion application -- 8. Reactive forcefield (ReaxFF) for the 2D nanomaterials synthesis -- 9. Forcefields and Modelling of Polymer Coatings and nanocomposites -- 10. Accelerated reactive forcefields for studying nanomaterials and polymers. |
Record Nr. | UNINA-9910588596303321 |
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Fundamentals of 57Fe Mössbauer Spectrometry / / by R. Justin Joseyphus, Jean-Marc Greneche |
Autore | Joseyphus R. Justin |
Edizione | [1st ed. 2024.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
Descrizione fisica | 1 online resource (XIV, 476 p. 259 illus., 216 illus. in color.) |
Disciplina | 530.41 |
Soggetto topico |
Solid state physics
Materials - Analysis Spectrum analysis Atomic structure Molecular structure Nanoscience Electronic Devices Characterization and Analytical Technique Spectroscopy Atomic and Molecular Structure and Properties Nanophysics |
ISBN | 981-9986-53-2 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | 1. The Nucleus -- 2. Introduction to Quantum Mechanics -- 3. Introduction to Quantum Mechanics -- 4. The Mössbauer Effect -- 5. The Mössbauer Parameters. . |
Record Nr. | UNINA-9910864191903321 |
Joseyphus R. Justin | ||
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Handbook of Macrocyclic Supramolecular Assembly / / edited by Yu Liu, Yong Chen, Heng-Yi Zhang |
Edizione | [1st ed. 2020.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2020 |
Descrizione fisica | 1 online resource (1098 illus., 848 illus. in color. eReference.) |
Disciplina | 547 |
Soggetto topico |
Chemistry, Organic
Medicinal chemistry Physical chemistry Biophysics Atomic structure Molecular structure Organic Chemistry Medicinal Chemistry Physical Chemistry Atomic and Molecular Structure and Properties |
ISBN | 981-15-2686-9 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Section 1. Supramolecular Assemblies Based on Crown Ethers and Cyclophanes -- Chapter 1. Water-Soluble Aromatic Crown Ethers: from Molecular Recognition to Molecular Assembly -- Chapter 2. Polypseudorotaxanes Constructed by Crown Ethers -- Chapter 3. Host-Guest Chemistry of A Macrocycle Containing p Systems Namely Cyclobis(paraquat-p-phenylene) -- Chapter 4. Mechanically Selflocked Molecules -- Chapter 5. Photo-luminescent Crown Ether Assembly. Section 2. Supramolecular Assemblies Based on Macrocyclic Arenes -- Chapter 1. Triptycene Derived Macrocyclic Arenes: from Calixarenes to Helicarenes -- Chapter 2. General Introduction of Some Emerging Macrocyclic Arenes Related to Calixarenes and Pillararenes -- Chapter 3. Macrocyclic Amphiphiles for Nanomedicine -- Chapter 4. Preparation of Biosensor Based on Supermolecular Recognizaiton -- Chapter 5. Application of Anion-Pi Interaction on Supramolecular Self-Assembly -- Chapter 6. Functional Rotaxanes: from Synthetic Methodology to Functional Molecular Materials -- Chapter 7. Biphen[n]arenes: Synthesis and Host-Guest Properties -- Chapter 8. Pillararene-based Supramolecular Polymer. Section 3. Supramolecular Assemblies Based on Cyclodextrins -- Chapter 1. Functionalized Cyclodextrins and Their Applications -- Chapter 2. Cyclodextrin Polyrotaxanes: Synthesis, Analytics and Functions -- Chapter 3. Cyclodextrin Hybrid Inorganic Nanocomposites for Molecular Recognition, Selective Adsorption and Drug Delivery -- Chapter 4. Photoresponsive Supramolecular Assembly with Biological Function -- Chapter 5. Cyclodextrin-based Supramolecular Hydrogel -- Chapter 6. Supramolecular Chiral Photochemistry -- Chapter 7. Construction and Functions of Supramolecular Cyclodextrin Polymer -- Chapter 8. Construction of Cyclodextrin-based Magnetic Supramolecular Assemblies and Its Regulation of Cell Mobility -- Chapter 9. Supramolecular Assemblys Based on Multi-Charge Cyclodextrin Induced Aggregation. Section 4. Supramolecular Assemblies Based on Cucurbiturils -- Chapter 1. Stimuli Responsive Self-Assembly Based on Macrocyclic Hosts and Biomedical Applications -- Chapter 2. Modulation of Chemical and Biological Properties of Biomedically Relevant Guest Molecules by Cucurbituril-type Hosts -- Chapter 3. Self-Assembled Two-Dimensional Organic Layers in Solution Phase -- Chapter 4. Modified Cucurbiturils with Various Ring Size: Synthesis -- Chapter 5. Modified Cucurbiturils with Various Ring Size: Assembly -- Chapter 6. Modified Cucurbiturils with Various Ring Size: Functions -- Chapter 7. Biological Systems Involving Cucurbituril -- Chapter 8. Cucurbituril-based Pseudorotaxanes and Rotaxanes -- Chapter 9. Construction of Supramolecular Networks Based on CB8. Section 5. Supramolecular Assemblies Based on Other Macrocycles -- Chapter 1. Supramolecular Catalysis Using Functional Organic Macrocycles and Molecular Cages -- Chapter 2. Porphyrins and Porphyrinoids: Syntheses, Structures, and Properties -- Chapter 3. Protein Self-Assembly: Strategies and Applications -- Chapter 4. Peptide Tectonics: towards Biomimetic and Bioinspired Soft Materials -- Chapter 5. Naphthol-based Macrocycles -- Chapter 6. Carbohydrate-based Macromolecular Self-Assembly -- Chapter 7. in vivo Self-Assembly of Polypeptide-based Nanomaterials -- Chapter 8. Construction of Well-Defined Discrete Metallacycles and Their Biological Applications. Section 6. Some Important Approaches in Macrocycle-based Supramolecular Chemistry -- Chapter 1. Molecular Simulations of Supramolecular Architectures -- Chapter 2. Thermodynamic Studies of Supramolecular Systems -- Chapter 3. Spectral Studies of Supramolecular Systems -- Chapter 4. Artificial Host Molecules Modifying Biomacromolecules -- Chapter 5 Controllable Synthesis of Polynuclear Metal Clusters within Macrocycles -- Chapter 6 Integrating Macrocyclic Rings into Functional 3D Printing Materials -- Chapter 7 Molecular Recognition with Helical Receptors -- Chapter 8 Supramolecular Interface for Biochemical Sensing Applications -- Chapter 9 Supramolecular Functional Complexes Constructed by Orthogonal Self-Assembly -- Chapter 10 Aggregation Induced Emission of Macrocycle-based Assemblies -- Chapter 11 Application of Rare Earth Metal Complexes in Macrocycle-based Assemblies -- Chapter 12 Two Dimensional Supramolecular Framwork Based on Host-Guest Self-Assembly. Section 7. Biological Applications -- Chapter 1. Theranostic Supramolecular Vesicle Systems -- Chapter 2. Host–Guest Sensing by Nanopores and Nanochannels -- Chapter 3. Highly Selective Ultrafast Proton Transport by Synthetic Unimolecular Proton Channels -- Chapter 4.Drug/Gene Delivery Platform Based on Supramolecular Interactions: Hyaluronic Aicd and Folic Acid as Targeting Units -- Chapter 5. Self-Assembling Peptides for Vaccine Development and Antibody Production -- Chapter 6. Supramolecules Assisted Transport of Ions and Molecules through Lipid Bilayers -- Chapter 7. Construction and Biomedical Applications of Macrocycle-based Supramolecular Topological Polymers -- Chapter 8. Supermolecules as Medicinal Drugs -- Chapter 9. Nanoscaled Cyclodextrin Supermolecular System for Drug and Gene Delivery -- Chapter 10. Immunity Regulation by Cyclodextrin-based Supramolecular Assembly -- Chapter 11. Industrial Application of Cyclodextrin. |
Record Nr. | UNINA-9910416142003321 |
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2020 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Intrinsic Structures and Properties of Energetic Materials / / by Chaoyang Zhang, Jing Huang, Rupeng Bu |
Autore | Zhang Chaoyang |
Edizione | [1st ed. 2023.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
Descrizione fisica | 1 online resource (469 pages) |
Disciplina | 530.411 |
Altri autori (Persone) |
HuangJing
BuRupeng |
Soggetto topico |
Condensed matter
Atomic structure Molecular structure Materials science—Data processing Surfaces (Physics) Structure of Condensed Matter Atomic and Molecular Structure and Properties Computational Materials Science Surface and Interface and Thin Film |
ISBN | 981-9926-99-8 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Introduction -- Classification of Energetic Crystals -- Application of molecular simulation methods in treating intrinsic structures of energetic materials -- Energetic molecules & single-component energetic molecular crystals -- Polymorphism and polymorphic transition in energetic molecular crystals -- Energetic ionic crystals -- Energetic cocrstals -- Energetic atomic crystals, energetic metallic crystals & energetic mixed-type crystals -- Hydrogen bonding, hydrogen transfer and halogen bonding -- π-stacking in energetic crystals -- Crystal engineering for creating low sensitive and highly energetic materials. . |
Record Nr. | UNINA-9910734884503321 |
Zhang Chaoyang | ||
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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microRNA: Basic Science : From Molecular Biology to Clinical Practice / / edited by Gaetano Santulli |
Edizione | [1st ed. 2015.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
Descrizione fisica | 1 online resource (265 p.) |
Disciplina | 572.88 |
Collana | Advances in Experimental Medicine and Biology |
Soggetto topico |
Cytology
Atomic structure Molecular structure Biochemistry Medicine—Research Biology—Research Human physiology Cell Biology Atomic and Molecular Structure and Properties Chemical Biology Biomedical Research Human Physiology |
ISBN | 3-319-22380-1 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910298449103321 |
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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microRNA: Medical Evidence : From Molecular Biology to Clinical Practice / / edited by Gaetano Santulli |
Edizione | [1st ed. 2015.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
Descrizione fisica | 1 online resource (428 p.) |
Disciplina | 572.88 |
Collana | Advances in Experimental Medicine and Biology |
Soggetto topico |
Medicine—Research
Biology—Research Cytology Atomic structure Molecular structure Biochemistry Human physiology Biomedical Research Cell Biology Atomic and Molecular Structure and Properties Chemical Biology Human Physiology |
ISBN | 3-319-22671-1 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | -- 1) microRNA and personalized medicine -- 2) microRNA and chronic pain -- 3) microRNA and multiple sclerosis -- 4) microRNA and epilepsy -- 5) microRNA and autism -- 6) microRNAs and fragile X syndrome -- 7) microRNAs and neurodegenerative disorders -- 8) microRNA and metabolism: focus on mitochondria -- 9) microRNA in cerebrovascular diseases -- 10) microRNA and cardiac regeneration -- 11) microRNA and arterial -- 12) microRNA and pulmonary hypertension . - 13) microRNA and diabetic kidney disease -- 14) MicroRNA and kidney transplantation -- 15) microRNA and wound healing -- 16) microRNA in dermatology -- 17) microRNA and allergy -- 18) Endometriosis -- 19) microRNA role in human -- 20) microRNA and hepatitis B -- 21) BIO microRNA and aging -- 22) microRNA and doping -- 23) microRNA profiling. |
Record Nr. | UNINA-9910298451703321 |
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Molecular Spectroscopy—Experiment and Theory : From Molecules to Functional Materials / / edited by Andrzej Koleżyński, Magdalena Król |
Edizione | [1st ed. 2019.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 |
Descrizione fisica | 1 online resource (529 pages) : illustrations |
Disciplina | 539.6 |
Collana | Challenges and Advances in Computational Chemistry and Physics |
Soggetto topico |
Spectrum analysis
Materials - Analysis Atomic structure Molecular structure Chemistry, Physical and theoretical Spectroscopy Characterization and Analytical Technique Atomic and Molecular Structure and Properties Theoretical Chemistry |
ISBN | 3-030-01355-3 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Introduction to spectroscopy -- Computational methods in spectroscopy -- Computational modeling of nanosystems -- Photophysical properties of chromophores -- Nonlinear optical properties of molecular-like metal nanoclusters -- Luminescence properties of materials -- Structural properties of magnetic ceramic materials -- Spectroscopic studies of surfaces and interfaces -- Spectroscopic methods as a tool for catalysis -- Spectroscopy in earth sciences -- Vibrational spectroscopy of aluminosilicates -- Spectroscopic characterization of amorphous materials -- Organosilicates – structure and properties -- Structure of “black” glasses by means of spectroscopic methods -- Vibrational spectroscopy in the analysis of biological systems -- Organic materials characterization -- Spectroscopy in the analysis of artworks. |
Record Nr. | UNINA-9910337932103321 |
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Physics and Applications of Hydrogen Negative Ion Sources / / edited by Marthe Bacal |
Edizione | [1st ed. 2023.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
Descrizione fisica | 1 online resource (622 pages) |
Disciplina | 546.2 |
Collana | Springer Series on Atomic, Optical, and Plasma Physics |
Soggetto topico |
Plasma (Ionized gases)
Surfaces (Physics) Particle accelerators Atomic structure Molecular structure Plasma Physics Surface and Interface and Thin Film Accelerator Physics Atomic and Molecular Structure and Properties |
Soggetto non controllato |
Chemistry
Science |
ISBN | 9783031214769 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Chapter 1. Fundamental processes of hydrogen negative ion production in the ion source plasma volume -- Chapter 2. Fundamental aspect of surface production of hydrogen negative ions -- Chapter 3. Modelling of reaction dynamics in volume production negative hydrogen ion sources -- Chapter 4. Particle-In-Cell Modelling of Negative Ion Sources for fusion applications -- Chapter 5. Particle-In-Cell Modelling with Monte-Carlo Collision of Extraction and Acceleration in Radio-Frequency Negative Ion Sources -- Chapter 6. Plasma neutralisation of 500 keV H- ions -- Chapter 7. Advanced models for negative ion production in hydrogen discharges -- Chapter 8. The plasma sheath in negative ion sources -- Chapter 9. Helicon volume production of H− and D− using a resonant birdcage antenna on RAID -- Chapter 10. Plasma electrode for Caesium free negative hydrogen ion sources -- Chapter 11. Low temperature high density ion source plasma -- Chapter 12. Fundamental principles of ECR-driven negative ion sources operating with hydrogen and deuterium -- Chapter 13. Dissociative electron attachment to hydrogen and its use for vibrational spectroscopy of hydrogen molecule -- Chapter 14. Physics of surface-plasma H- ion sources -- Chapter 15. Hydrogen negative ion density diagnostic in plasma -- Chapter 16. RF Driven ion sources for Fusion NBI -- Chapter 17. Negative ion source technique and technology -- Chapter 18. Radiofrequency driven, Pulsed High-current H- Ion Sources on Advanced Accelerators -- Chapter 19. Development of High Current Negative-Ion based Beam Source at QST for JT-60U and ITER Neutral Beam Injectors. |
Record Nr. | UNINA-9910726292103321 |
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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Quantum Mechanics for Chemistry / / by Seogjoo J. Jang |
Autore | Jang Seogjoo J |
Edizione | [1st ed. 2023.] |
Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
Descrizione fisica | 1 online resource (XVIII, 432 p. 27 illus., 21 illus. in color.) |
Disciplina | 500 |
Soggetto topico |
Physics
Astronomy Physical chemistry Atomic structure Molecular structure Chemistry, Physical and theoretical Quantum physics Chemometrics Physics and Astronomy Physical Chemistry Atomic and Molecular Structure and Properties Theoretical Chemistry Fundamental concepts and interpretations of QM Mathematical Applications in Chemistry |
ISBN | 3-031-30218-4 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Chapter1: Concepts and Assumptions of Quantum Mechanics -- Chapter2: Dirac Notation and Principles of Quantum Mechanics -- Chapter3: Harmonic Oscillator and Vibrational Spectroscopy -- Chapter4: Multidimensional Systems and Separation of Variables -- Chapter5: Rotational States and Spectroscopy -- Chapter6: Hydrogen-like Systems and Spin Orbit States of an Electron -- Chapter7: Approximation Methods for Time Independent Schrödinger Equation -- Chapter8: Many Electron Systems and Atomic Spectroscopy -- Chapter9: Polyatomic Molecules and Molecular Spectroscopy -- Chapter10: Quantum Dynamics of Pure and Mixed States -- Chapter11: Theories for Electronic Structure Calculation of Polyatomic Molecules -- Chapter12: Special Topics. |
Record Nr. | UNINA-9910746093103321 |
Jang Seogjoo J | ||
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
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