Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology, 1st Edition

  • Published By:
  • ISBN-10: 331901529X
  • ISBN-13: 9783319015293
  • DDC: 541.28
  • Grade Level Range: College Freshman - College Senior
  • 379 Pages | eBook
  • Original Copyright 2013 | Published/Released June 2014
  • This publication's content originally published in print form: 2013

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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.

Table of Contents

Front Cover.
Half Title Page.
Other Front Matter.
Title Page.
Copyright Page.
PTCP Aim and Scope.
1: Fundamental Theory.
2: The Potential Energy Surface in Molecular Quantum Mechanics.
3: A Comment on the Question of Degeneracies in Quantum Mechanics.
4: The Dirac Electron as a Massless Charge Spinning at Light Speed: Implications on Some Basic Physical Concepts.
5: Some Biochemical Reflections on Information and Communication.
6: Molecular Structure, Properties and Processes.
7: Application of the Uniformly Charged Sphere Stabilization for Calculating the Lowest 1S Resonances of H−.
8: Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes.
9: Spin Torque and Zeta Force in Allene-Type Molecules.
10: A Refined Quartic Potential Surface for S0 Formaldehyde.
11: Operator Perturbation Theory for Atomic Systems in a Strong DC Electric Field.
12: Clusters and Condensed Matter.
13: Structural and Thermodynamic Properties of Au2–58 Clusters.
14: An Evaluation of Density Functional Theory for CO Adsorption on Pt(111).
15: Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage.
16: A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskite.
17: A Theoretical Study on Proton Conduction Mechanism in BaZrO3 Perovskite.
18: Molecular Theory of Graphene.
19: Topological Mechanochemistry of Graphene.
20: Theoretical Analysis of Phase-Transition Temperature of Hydrogen-Bonded Dielectric Materials Induced by H/D Isotope Effect.
21: On Converse Piezoelectricity.
22: Structure and Processes in Biosystems.
23: Analysis of Water Molecules in the Hras-GTP and GDP Complexes with Molecular Dynamics Simulations.
24: Bath Correlation Effects on Inelastic Charge Transport through DNA Junctions.