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Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

  • Matti Hotokka
  • Erkki J. Brändas
  • Jean Maruani
  • Gerardo Delgado-Barrio
Conference proceedings

Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 27)

Table of contents

  1. Front Matter
    Pages I-XV
    PDF

  2. Fundamental Theory

    1. Front Matter
      Pages 1-1
      PDF
    2. The Potential Energy Surface in Molecular Quantum Mechanics
      Brian Sutcliffe, R. Guy Woolley
      Pages 3-40
    3. A Comment on the Question of Degeneracies in Quantum Mechanics
      Michal Svrček
      Pages 41-52
    4. The Dirac Electron as a Massless Charge Spinning at Light Speed: Implications on Some Basic Physical Concepts
      Jean Maruani
      Pages 53-74
    5. Some Biochemical Reflections on Information and Communication
      Erkki J. Brändas
      Pages 75-98

  3. Molecular Structure, Properties and Processes

    1. Front Matter
      Pages 99-99
      PDF
    2. Application of the Uniformly Charged Sphere Stabilization for Calculating the Lowest 1S Resonances of H−
      S. O. Adamson, D. D. Kharlampidi, A. I. Dementiev
      Pages 101-118
    3. Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes
      M. C. Bacchus-Montabonel
      Pages 119-129
    4. Spin Torque and Zeta Force in Allene-Type Molecules
      Masahiro Fukuda, Masato Senami, Akitomo Tachibana
      Pages 131-139
    5. A Refined Quartic Potential Surface for S0 Formaldehyde
      Svetoslav Rashev, David C. Moule
      Pages 141-160
    6. Operator Perturbation Theory for Atomic Systems in a Strong DC Electric Field
      Alexander V. Glushkov
      Pages 161-177

  4. Clusters and Condensed Matter

    1. Front Matter
      Pages 179-179
      PDF
    2. Structural and Thermodynamic Properties of Au2–58 Clusters
      Yi Dong, Michael Springborg, Ingolf Warnke
      Pages 181-193
    3. An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)
      Yu-Wei Huang, Ren-Shiou Ke, Wei-Chang Hao, Shyi-Long Lee
      Pages 195-210
    4. Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage
      Fedor Y. Naumkin, David J. Wales
      Pages 211-220
    5. A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskite
      Taku Onishi
      Pages 221-232
    6. A Theoretical Study on Proton Conduction Mechanism in BaZrO3 Perovskite
      Taku Onishi, Trygve Helgaker
      Pages 233-248
    7. Molecular Theory of Graphene
      E. F. Sheka
      Pages 249-284
    8. Topological Mechanochemistry of Graphene
      E. F. Sheka, V. A. Popova, N. A. Popova
      Pages 285-301
    9. Theoretical Analysis of Phase-Transition Temperature of Hydrogen-Bonded Dielectric Materials Induced by H/D Isotope Effect
      Takayoshi Ishimoto, Masanori Tachikawa
      Pages 303-329
    10. On Converse Piezoelectricity
      Michael Springborg, Bernard Kirtman, Jorge Vargas
      Pages 331-348

  5. Structure and Processes in Biosystems

    1. Front Matter
      Pages 349-349
      PDF
    2. Analysis of Water Molecules in the Hras-GTP and GDP Complexes with Molecular Dynamics Simulations
      Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Akira Dobashi, Kimikazu Sugimori, Kazutomo Kawaguchi et al.
      Pages 351-360
    3. Bath Correlation Effects on Inelastic Charge Transport Through DNA Junctions
      Tal Simon, Daria Brisker-Klaiman, Uri Peskin
      Pages 361-372
  6. Back Matter
    Pages 373-379
    PDF

About these proceedings

Introduction

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.

Keywords

Computational Chemistry Computational Chemistry Condensed Matter Electrical Fields Magnetic Fields QSCP-XVI Quantum Theory Relativistic Effects in Quantum Chemistry seventeenth QSCP(B)

Editors and affiliations

  • Matti Hotokka
    • 1
  • Erkki J. Brändas
    • 2
  • Jean Maruani
    • 3
  • Gerardo Delgado-Barrio
    • 4
  1. 1.Department of Physical ChemistryÅbo Akademi UniversityTurkuFinland
  2. 2.Uppsala University Department of Quantum ChemistryUppsalaSweden
  3. 3.Laboratoire de Chimie PhysiqueParisFrance
  4. 4.Instituto de Física Fundamental, CSICMadridSpain

Bibliographic information

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