Ebook: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology
- Tags: Theoretical and Computational Chemistry, Condensed Matter Physics, Computer Appl. in Life Sciences, Nanotechnology, Catalysis
- Series: Progress in Theoretical Chemistry and Physics 27
- Year: 2013
- Publisher: Springer International Publishing
- Edition: 1
- Language: English
- pdf
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.
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.
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.
Content:
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 S0 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 Au2–58 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 SrTiO3 Perovskite....Pages 221-232
A Theoretical Study on Proton Conduction Mechanism in BaZrO3 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