Nascimento M.A.C., Maruani J., Brändas E.J., Delgado-Barrio G. (Eds.) Frontiers in Quantum Methods and Applications in Chemistry and Physics: Selected Proceedings of QSCP-XVIII (Paraty, Brazil, December, 2013)

Springer International Publishing, Switzerland, 2015. — 301 p. — (Progress in Theoretical Chemistry and Physics 29) — ISBN: 978-3-319-14396-5.Science progresses by a symbiotic interaction between theory and experiment: theory is used to interpret experimental results and may suggest new experiments; experiment helps to test theoretical predictions and may lead to improved theories. Theoretical Chemistry (including Physical Chemistry and Chemical Physics) provides the conceptual and technical background and apparatus for the rationalization of phenomena in the chemical sciences. It is, therefore, a wide ranging subject, reflecting the diversity of molecular and related species and processes arising in chemical systems. The book series Progress in Theoretical Chemistry and Physics aims to report advances in methods and applications in this extended domain. It will comprise monographs as well as collections of papers on particular themes, which may arise from proceedings of symposia or invited papers on specific topics as well as from initiatives from authors or translations.Quantum Methodology
The Importance of Orbital Analysis
A General Geometric Representation of Sphere-Sphere Interactions
Understanding the Electronic Structure Properties of Bare Silver Clusters as Models for Plasmonic Excitation
Structure and Properties
Optimized Perturbation Theory for Calculating the Hyperfine Line Shift and Broadening of Heavy Atoms in a Buffer Gas
Proton Quantum Confinement on Symmetric Dimers of Ammonia and Lower Amine Homologs
Ab-Initio and DFT Study of the Muchimangin-B Molecule
Molecular Dynamics Analysis of FAAH Complexed with Anandamide
Molecular Dynamics
Intense Field Molecular Photodissociation: The Adiabatic Views
Photoionization Spectra and Ionization Potentials of Energetic Molecules
Theoretical Study of Coherent π-Electron Rotations in a Nonplanar Chiral Aromatic Molecule Induced by Ultrafast Linearly Polarized UV Pulses
Full Quantum Calculations of the Diffusion Rate of Adsorbates
Fundamental Theory
Relativistic Quantum Chemistry: An Advanced Approach to the Construction of the Green Function of the Dirac Equation with Complex Energy and Mean-Field Nuclear Potential
Spacetime-Based Foundation of Quantum Mechanics and General RelativityA Zero Energy Universe Scenario: From Unstable Chemical States to Biological Evolution and Cosmological Order