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Argenti, Luca
2024
Table of Contents:
“... chiral sensitivity in photoionization with bichromatic fields -- Chapter 13. Experimental investigation of topological property of degenereate singularities in rescattering processes -- Chapter 14. Simulating strong field tunnel ionization of molecules...”2024
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2
Martín Pendás, Ángel
2023
Table of Contents:
“...Introduction -- Topological spaces -- Part I Descriptors -- The electron density -- Electron pairing descriptors -- Weak interactions -- Part II Applications -- Molecules -- Solid state -- Part III Exercises -- Algorithms & software -- Exercises...”2023
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Chen, Yong
2020
Table of Contents:
“... 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...”2020
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6
Table of Contents:
“... and Real-Space Topology: Understanding Electron Flow, Molecular Mechanism and Material Behaviour....”
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8
Table of Contents:
“... -- Molecular Geometry—Distant Consequences of H-Bonding -- Topology of X-Ray Charge Density of Hydrogen Bonds -- Structure–Property Relations for Hydrogen-Bonded Solids -- Unrevealing the Nature of Hydrogen Bonds: ?-Electron Delocalization Shapes H-Bond Features...”
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Buzaneva, Eugenia V.
2005
Table of Contents:
“...Modeling and computer simulation of characteristics nanosystems -- Optical Properties of Small-Radius SWNTs within a Tight-Binding Model -- The Electronic Structure of Nanotubes and the Topological Arrangements of Carbon Atoms -- Irradiation Effect...”2005
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Wales, D. J.
2005
Table of Contents:
“...P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials -- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model -- S.L. Price, L.S. Price: Modelling...”2005
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11
Table of Contents:
“... Surfaces Imaged by Atomic Force Microscopy and Complementary Approaches -- S. Ito, H. Aoki: Nano-Imaging of Polymers by Optical Microscopy -- A.A. Gurtovenko, A. Blumen: Generalized Gaussian Structures: Models for Polymer Systems with Complex Topologies....”
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Russo, Nino
2003
Table of Contents:
“... Correlation: Quantum Chemistry’s Holy Grail -- What Can Tell Topological Approaches on the Bonding in Transition Metal Compounds -- Metal-DNA interactions -- Possible Electronic Modifications of VO-based Catalysts -- Electronic Properties, Spectroscopic Properties...”2003
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15
Table of Contents:
“... from Amino Acid Sequence -- On Characterization of 3D Molecular Structure -- Chemical Graph Theory of Fullerenes -- Recent Work on Toroidal and Other Exotic Fullerene Structures -- All-Conjugated Carbon Species -- Applications of Topology and Graph Theory...”
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Carbó-Dorca, Ramon
2001
Table of Contents:
“...1. Prediction of Boiling Points of Organic Compounds from Molecular Descriptors by Using Backpropagation Neural Network -- 2. Some Relationships between Molecular Energy-Topology and Symmetry -- 3. Database Organization and Similarity Searching with E...”2001
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17
Table of Contents:
“...) Based on the Topological Analysis of the Electron Localisation Function (ELF) -- Symmetry-separated (?+?) vs Bent-bond (?) Models of First-row Transition-metal Methylene Cations -- Hartree-fock Study of Hydrogen-bonded Systems in the Absence of Basis-set...”
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18
Groot, Huub J. M. de
2001
Table of Contents:
“...-state NMR spectroscopy of polypeptides reconstituted into oriented phospholipid membranes -- From Topology to High Resolution Membrane Protein Structures -- Toward dipolar recoupling in macroscopically ordered samples of membrane proteins rotating...”2001
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Müller, Achim
2001
Table of Contents:
“...to Polyoxometalate Chemistry : From Topology via Self-assembly to Applications -- Synthetic Strategies -- Rational Approaches to Polyoxometalate Synthesis -- Functionalization of Polyoxometalates : Achievements and Perspectives -- From the First...”2001
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Cioslowski, Jerzy
2000
Table of Contents:
“... Matrix and Density Functional Theory: An Illustration for Hooke’s Atom -- IV. Electron Intracule and Extracule Densities -- 11. Intracule and Extracule Densities: Historical Perspectives and Future Prospects -- 12. Topology of Electron Correlation -- 13...”2000
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