Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology (Progress in Theoretical Chemistry and Physics Book 27)

__Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology__ includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology. New trends and state-of-the-art developments in the quantum theory of atomic and molecular systems, and condensed matter (including biological systems and nanostructures) are described by academics of international distinction. Front Matter....Pages I-XV Front Matter....Pages 1-1 The Potential Energy Surface in Molecular Quantum Mechanics....Pages 3-40 A Comment on the Question of Degeneracies in Quantum Mechanics....Pages 41-52 The Dirac Electron as a Massless Charge Spinning at Light Speed: Implications on Some Basic Physical Concepts....Pages 53-74 Some Biochemical Reflections on Information and Communication....Pages 75-98 Front Matter....Pages 99-99 Application of the Uniformly Charged Sphere Stabilization for Calculating the Lowest 1 S Resonances of H − ....Pages 101-118 Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes....Pages 119-129 Spin Torque and Zeta Force in Allene-Type Molecules....Pages 131-139 A Refined Quartic Potential Surface for S 0 Formaldehyde....Pages 141-160 Operator Perturbation Theory for Atomic Systems in a Strong DC Electric Field....Pages 161-177 Front Matter....Pages 179-179 Structural and Thermodynamic Properties of Au 2–58 Clusters....Pages 181-193 An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)....Pages 195-210 Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage....Pages 211-220 A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO 3 Perovskite....Pages 221-232 A Theoretical Study on Proton Conduction Mechanism in BaZrO 3 Perovskite....Pages 233-248 Molecular Theory of Graphene....Pages 249-284 Topological Mechanochemistry of Graphene....Pages 285-301 Theoretical Analysis of Phase-Transition Temperature of Hydrogen-Bonded Dielectric Materials Induced by H/D Isotope Effect....Pages 303-329 On Converse Piezoelectricity....Pages 331-348 Front Matter....Pages 349-349 Analysis of Water Molecules in the Hras-GTP and GDP Complexes with Molecular Dynamics Simulations....Pages 351-360 Bath Correlation Effects on Inelastic Charge Transport Through DNA Junctions....Pages 361-372 Back Matter....Pages 373-379 Advances In Quantum Methods And Applications In Chemistry, Physics, And Biology Includes Peer-reviewed Contributions Based On Carefully Selected Presentations Given At The 17th International Workshop On Quantum Systems In Chemistry, Physics, And Biology. New Trends And State-of-the-art Developments In The Quantum Theory Of Atomic And Molecular Systems, And Condensed Matter (including Biological Systems And Nanostructures) Are Described By Academics Of International Distinction. Concepts And Methods In Quantum Chemistry.-relativistic Effects In Quantum Chemistry.-molecular Structure, Dynamics, And Spectroscopy -- Atoms And Molecules In Strong Electric And Magnetic Fields.-reactive Collisions And Chemical Reactions -- Condensed Matter; Complexes And Clusters; Surfaces And Interfaces.-molecular And Nano-materials, Electronics And Biology.-computational Chemistry, Physics And Biology.-catalysis. Edited By Matti Hotokka, Erkki J. Brändas, Jean Maruani, Gerardo Delgado-barrio.