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Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas
Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas
Edizione [1st ed. 2020.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
Descrizione fisica 1 online resource (XVI, 469 p.)
Disciplina 541.28
Collana Progress in Theoretical Chemistry and Physics
Soggetto topico Chemistry, Physical and theoretical
Atomic structure
Molecular structure
Bioinformatics
Quantum theory
Theoretical Chemistry
Atomic and Molecular Structure and Properties
Computational and Systems Biology
Quantum Physics
ISBN 3-030-34941-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Part 1: Exotic Atomic Systems -- Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov ) -- Chapter 2. Relativistic Quantum Chemistry and Spectroscopy of Kaonic Atomic Systems with Accounting for Radiative and Strong Interaction Effects(O. Yu. Khetselius, V. B. Ternovsky, Y.V. Dubrovskaya, I.N. Serga,and A. A. Svinarenko) -- Chapter 3. Spectroscopy of Rydberg Atomic Systems in a Black-Body Radiation Field (Valentin B. Ternovsky, Alexander V. Glushkov, Anna A. Kuznetsova, and Andrey V. Tsudik) -- Chapter 4. Hyperfine and Electroweak Interactions in Heavy Finite Fermi Systems and Parity Non-conservation Effect(Olga Yu. Khetselius, Alexander V. Glushkov, Eugeny Ternovsky,Vasily V. Buyadzhi, and Aleksii L. Mykhailov ) -- Part 2: Clusters and Molecules Interactions -- Chapter 5.Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms (David Dell’Angelo). – Chapter 6. A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)(Partricia R. P. Barreto, Ana Claudia P. S. Cruz, Henrique O. Euclides, Alessandra F. Albernaz, Federico Palazzetti, and Fernando Pirani) -- Chapter 7. A Theoretical Study on the Reaction between Chloroacetic Acid and Thiourea(Mwadham M. Kabanda and Kgalaletso P. Otukile ) -- Chapter 8. Density Functional Theory Studies of Ruthenium (N3) Dye Adsorbed on a TiO2 Brookite Nanocluster for Application to Dye Sensitized Solar Cells (I. F. Elegbeleye, N. E. Maluta, and R. R. Maphanga) -- Part 3: Biochemistry and Biophysics -- Chapter 9. Complexes of Furonewguinone-B with a Cu2+ Ion. A DFT Study (Liliana Mammino) -- Chapter 10. Computational Study of Shuangancistrotectorine-A: A Naphthyliso-quinoline Alkaloid with Antimalarial Activity(Mireille Bilonda and Liliana Mammino) -- Chapter 11. Ab initio and DFT Computational Study of Myristinin-A and a Structurally Related Molecule(Neani Tshilande and Liliana Mammino) -- Chapter 12.Current Problems in Computer Simulation of Variability of the Three-Dimensional Structure of DNA( V. Poltev, V.M. Anisimov1, V. Dominguez, A. Deriabina, E. Gonzalez, D. Garcia, V. Vázquez-Báez, F. Rivas) -- Part 4: Fundamental Theory -- Chapter 13. Efficient ‘Middle’ Thermostat Scheme for the Quantum / Classical Canonical Ensemble via Molecular Dynamics (Xinzijian Liu, Kangyu Yan, and Jian Liu) -- Chapter 14. Megascopic Quantum Phenomena: A Critical Study of Physical Interpretations (Michal Crvek) -- Chapter 15. Is Abiogenesis Supported by the Second Law of Thermodynamics? (Erkki J. Brändas) -- Chapter 16. Can Quantum Theory Concepts ShedLight on Biological Evolution Processes? (Jean Maruani).
Record Nr. UNINA-9910380724803321
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
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Analyzing Power Measurement for p + 3He Elastic Scattering at Intermediate Energies / / by Atomu Watanabe
Analyzing Power Measurement for p + 3He Elastic Scattering at Intermediate Energies / / by Atomu Watanabe
Autore Watanabe Atomu
Edizione [1st ed. 2021.]
Pubbl/distr/stampa Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2021
Descrizione fisica 1 online resource (XV, 121 p. 87 illus., 67 illus. in color.)
Disciplina 539.7
Collana Springer Theses, Recognizing Outstanding Ph.D. Research
Soggetto topico Nuclear physics
Nuclear magnetic resonance
Atomic structure
Molecular structure
Nuclear Physics
Magnetic Resonance (NMR, EPR)
Atomic and Molecular Structure and Properties
ISBN 981-15-9445-7
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Introduction -- Polarized 3He Target -- 3He Polarimetry -- Measurement of the Absolute 3He Polarization at RANS -- Measurement of 3He Analyzing Power -- Discussion -- Summary and Conclusion.
Record Nr. UNINA-9910863275503321
Watanabe Atomu  
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2021
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Atomic and Molecular Spectroscopy : Basic Aspects and Practical Applications / / by Sune Svanberg
Atomic and Molecular Spectroscopy : Basic Aspects and Practical Applications / / by Sune Svanberg
Autore Svanberg S (Sune), <1943->
Edizione [5th ed. 2022.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022
Descrizione fisica 1 online resource (xx, 686 pages) : illustrations (some color)
Disciplina 294.33653
539.7
Collana Graduate Texts in Physics
Soggetto topico Atomic structure
Molecular structure
Molecular spectroscopy
Optical spectroscopy
Lasers
Quantum optics
Cancer - Imaging
Atomic and Molecular Structure and Properties
Molecular Spectroscopy
Optical Spectroscopy
Laser
Quantum Optics
Cancer Imaging
ISBN 9783031047763
9783031047756
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Introduction -- Atomic Structure -- Molecular Structure -- Radiation and Scattering Processes -- Spectroscopy of Inner Electrons.
Record Nr. UNINA-9910640380203321
Svanberg S (Sune), <1943->  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022
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Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
Autore Civiš Svatopluk
Edizione [1st ed. 2020.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
Descrizione fisica 1 online resource (158 pages)
Disciplina 543.52
Collana Springer Series in Chemical Physics
Soggetto topico Atomic structure
Molecular structure
Spectrum analysis
Astronomy
Chemistry, Physical and theoretical
Atomic and Molecular Structure and Properties
Spectroscopy
Astronomy, Cosmology and Space Sciences
Physical Chemistry
ISBN 3-030-47352-X
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Chapter 1 - Introduction -- Chapter 2- Experimental setup and spectral analysis -- Chapter 3 - Spectra -- Chapter 4 - Conclusion.
Record Nr. UNINA-9910410003103321
Civiš Svatopluk  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
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Bonding, Structure, and Performance of Two-Dimensional Materials : An Introduction Based on the Periodic Table / / by Peter Hess
Bonding, Structure, and Performance of Two-Dimensional Materials : An Introduction Based on the Periodic Table / / by Peter Hess
Autore Hess Peter
Edizione [1st ed. 2025.]
Pubbl/distr/stampa Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025
Descrizione fisica 1 online resource (XXIII, 676 p. 219 illus., 209 illus. in color.)
Disciplina 530.41
620.19
Collana NanoScience and Technology
Soggetto topico Condensed matter
Chemical structure
Nanotechnology
Surfaces (Technology)
Thin films
Atomic structure
Molecular structure
Two-dimensional Materials
Structure And Bonding
Surfaces, Interfaces and Thin Film
Atomic and Molecular Structure and Properties
ISBN 9783031741616
3031741617
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Introduction -- Elemental Group-IIA Monolayers -- Elemental Group-IIIA Monolayers -- Groups IIA‒IVA, IIIA‒IVA -- Elemental Group-IVA Monolayers -- Binary Heteroelemental Group IVA-IVA Monolayers -- Group IIIA-VA Monolayers -- Group-VA Monolayers -- Binary Group VA-VA Monolayers -- Group IVA-VA Monolayers -- Group VIA Monolayers -- Binary Group IIIA-VIA Monolayers -- Group IVA-VIA Monolayers -- Group IVB Transition-Metal Dichalcogenide Monolayers -- Group VB-VIA Monolayers -- Group VIB Transition-Metal Dioxide and Dichalcogenide Monolayers -- Group XB Transition-Metal Dioxide and XB Dichalcogenide Monolayers -- Summary and Outlook.
Record Nr. UNINA-9910996485003321
Hess Peter  
Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025
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Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics : Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) / / edited by Yan A. Wang, Mark Thachuk, Roman Krems, Jean Maruani
Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics : Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) / / edited by Yan A. Wang, Mark Thachuk, Roman Krems, Jean Maruani
Edizione [1st ed. 2018.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018
Descrizione fisica 1 online resource (XIII, 407 p. 115 illus., 94 illus. in color.)
Disciplina 541.2
Collana Progress in Theoretical Chemistry and Physics
Soggetto topico Chemistry, Physical and theoretical
Atomic structure
Molecular structure
Bioinformatics
Quantum theory
Surfaces (Physics)
Theoretical Chemistry
Atomic and Molecular Structure and Properties
Computational and Systems Biology
Quantum Physics
Surface and Interface and Thin Film
ISBN 3-319-74582-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Quantum Chemistry Methodology -- Molecular Structure and Dynamics -- Biochemistry and Biophysics -- Fundamental Theory.
Record Nr. UNINA-9910298600303321
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018
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Equilibrium Structure of Free Molecules : Theory, Experiment, and Data Analysis / / by Natalja Vogt, Jean Demaison
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 9783031360459
3031360451
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
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Forcefields for Atomistic-Scale Simulations: Materials and Applications / / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin
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
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Fundamentals of ⁵⁷Fe Mössbauer Spectrometry / / by R. Justin Joseyphus, Jean-Marc Greneche
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 537.5352
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
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Handbook of Macrocyclic Supramolecular Assembly / / edited by Yu Liu, Yong Chen, Heng-Yi Zhang
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
Pharmaceutical chemistry
Chemistry, Physical and theoretical
Biophysics
Atomic structure
Molecular structure
Organic Chemistry
Medicinal Chemistry
Physical Chemistry
Atomic and Molecular Structure and Properties
ISBN 9789811526862
9811526869
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
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