Quantum Systems in Chemistry and Physics Progress in Methods and Applications /
Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kan...
| Published in: | Springer eBooks |
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| Corporate Author: | |
| Other Authors: | , , , , |
| Format: | eBook |
| Language: | English |
| Published: |
Dordrecht :
Springer Netherlands : Imprint: Springer,
2012.
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| Series: | Progress in Theoretical Chemistry and Physics,
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| Subjects: | |
| Online Access: | http://dx.doi.org/10.1007/978-94-007-5297-9 Перейти в каталог НБ ТГУ |
Table of Contents:
- PART I. Fundamental Theory
- The Relativistic Kepler Problem and Gödel's Paradox
- "The Dirac Electron: Spin, Zitterbewegung, the Compton Wavelength, and the Kinetic Foundation of Rest Mass"
- Molecular Parity Violation and Chirality: the Asymmetry of Life and the Symmetry Violations of Physics
- PART II. Molecular Processes
- Application of Density Matrix Method to Ultrafast Processes
- Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models
- Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules
- Simulation of Nuclear Dynamics of C60: from Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation
- Systematics and Prediction in Franck-Condon Factors
- Electron Momentum Distribution and Atomic Collisions
- Ab initio Path Integral Molecular Dynamics: Simulations of F2H− and F2H+
- Relativistic Energy Approach to Cooperative Electron -Nuclear Processes: NEET Effect
- Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions
- PART III. Molecular Structure
- "Solving the Schrödinger Equation for the Hydrogen Molecular Ion in a Magnetic Field using the Free-Complement Method"
- Description of Core Ionized and Excited States by Density Functional Theory and Time-Dependent Density Functional Theory
- Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory
- Ab-initio study of the Potential Energy Surface and Stability of the Li2+(X2Σg+) Alkali Dimer in Interaction with the Xenon Atom
- Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters
- Approximate Spin Projection for Geometry Optimization of Biradical Systems - Case Studies of Through-Space and Through-Bond Systems
- PART IV. Molecular Properties
- DFT Calculations of the Hetero-Junction Effect for Precious Metal Cluster Catalysts
- Luminescence Wavelengths and Energy Level Structure of Binuclear Copper Complexes and Related Metal Complexes
- Valence XPS, IR, and Solution 13C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations
- PART V. Condensed Matter
- Quantum Decoherence at the Femtosecond Level in Liquids and Solids Observed in Neutron Compton Scattering
- Variational Path Integral Molecular Dynamics Study of Small Para-Hydrogen Clusters
- Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original KohnSham Local Density Approximation
- Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory
- Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism
- Depth Profile Assignments of nm and mm Orders by Quantum Chemical Calculations for Chitosan Films Modified by Kr+ Beam Bombardment
- PART VI. Biosystems
- Color Tuning in Human Cone Visual Pigments: the Role of the Protein Environment
- Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane: Coarse-Grained Model Simulation
- Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase
- The Potentials of the Atoms around Mg2+ in the H-ras GTP and GDP Complexes
- Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione
- Designing the Binding Surface of Proteins to Construct Nano-Fibers.