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Proceedings of the 8th International Conference on Attosecond Science and Technology [E-Book] /
Table of Contents: .... Attosecond Physics and Quantum Information Science -- Chapter 5. Dynamics via Attosecond Four-Wave Mixing -- Chapter 6. Optical control of autoionizing states in argon -- Chapter 7. Retrieving a Complex Molecular Structure from Laser-Induced Electron Diffraction...

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Optimising NMR Spectroscopy Through Method and Software Development [E-Book] /
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Spin [E-Book] : From Basic Symmetries to Quantum Optimal Control /
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Topological Approaches to the Chemical Bond [E-Book] /
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Quantum Mechanics for Chemistry [E-Book] /
Table of Contents: ...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...

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Theory and Application of Rare Earth Materials [E-Book] /
Table of Contents: ...Chapter 1 Quantum Chemical Basis and Chemical Bonds -- Chapter 2 Occurrence States and Resources of Rare Earth Elements -- Chapter 3 Properties, Compounds and Complexes of Rare Earth Elements -- Chapter 4 Rare Earth Invar Alloys, Intermetallic Compounds...

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An Introduction to Chemistry [E-Book] /
Table of Contents: ...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...

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Electronics for Physicists [E-Book] : An Introduction /
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Mathematical Physical Chemistry [E-Book] : Practical and Intuitive Methodology /
Hotta, Shu
2023
Table of Contents: ...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...

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Molecular Dynamics [E-Book] /
Table of Contents: ...: Analytical Mechanics -- Part 2 - BASICS OF QUANTUM MECHANICS -- Chapter 7: Wave-particle duality of matter -- Chapter 8: Quantization of the energy -- Chapter 9: Quantization of the angular momentum -- Chapter 10: Postulates of quantum mechanics -- Part 3 - FIRST...

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Influence of Internal Degrees of Freedom on Electric and Related Molecular Properties [E-Book] /
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Ferroelectric Perovskites for High-Speed Memory [E-Book] : A Mechanism Revealed by Quantum Bonding Motion /
Table of Contents: ...Part I Theoretical Background -- 1. Electromagnetism -- 2. Quantum Mechanics -- 3. Quantum Computational Chemistry -- Part II Background of Ferroelectricity -- 4. Basics of Ferroelectricity -- 5. History of Ferroelectric Perovskites -- Part III Origin...

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Basis Sets in Computational Chemistry [E-Book] /
Perlt, Eva
2021
Table of Contents: ...An Introduction and Overview of Basis Sets for Molecular and Solid-state Calculations -- Slater-type Orbitals -- Local Orbitals in Quantum Chemistry -- An introduction to discretization error analysis for computational chemists -- Basis Sets...

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Biophysical and Computational Tools in Drug Discovery [E-Book] /
Table of Contents: ... -- Solution NMR methods in Drug Discovery for the series -- Applications of Mass Spectrometry in Herbal Drug Research -- Generative machine learning for drug discovery -- Structure and ligand based virtual screening in drug discovery -- Quantum Chemical and Quantum...

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Gas-Phase Photoprocesses [E-Book] /
Table of Contents: ... -- 4. Photoprocesses -- 4.1. Primary and Secondary Gas-Phase Photoprocesses. Quantum Yields of the Gas-Phase Photoprocesses -- 4.2. Optical Transitions. Selection Rules for Optical Transitions. Spin-Orbit Coupling and Spin-Forbidden Radiative Transitions...

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Recent Advances of the Fragment Molecular Orbital Method [E-Book] : Enhanced Performance and Applicability /
Table of Contents: ...Part 1: Positioning of FMO -- Fragment molecular orbital method as cluster expansion -- Comparison of various fragmentation methods for quantum chemical calculations of large molecular systems -- Part 2: Programs -- Recent development of the fragment...

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Statistical Thermodynamics for Pure and Applied Sciences [E-Book] : Statistical Thermodynamics /
Table of Contents: ... statistical mechanics -- Chapter 8. Electric and magnetic phenomena -- Chapter 9. Chemical equilibrium -- Chapter 10. Quantum statistics....

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Photoelectron Spectroscopy [E-Book] : Bulk and Surface Electronic Structures /
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QM/MM Studies of Light-responsive Biological Systems [E-Book] /
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Vibronic Coupling Density [E-Book] : Understanding Molecular Deformation /