| Description |
1 online resource (xv, 379 pages) : illustrations |
| Series |
Progress in Theoretical Chemistry and Physics, 1567-7354 ; v. 27 |
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Progress in theoretical chemistry and physics ; v. 27.
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| Contents |
Part I: Fundamental Theory. The Potential Energy Surface in Molecular Quantum Mechanics / Brian Sutcliffe, R. Guy Woolley -- A Comment on the Question of Degeneracies in Quantum Mechanics / Michal Svrček -- The Dirac Electron as a Massless Charge Spinning at Light Speed: Implications on Some Basic Physical Concepts / Jean Maruani -- Some Biochemical Reflections on Information and Communication / Erkki J. Brändas |
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Part II: Molecular Structure, Properties and Processes. Application of the Uniformly Charged Sphere Stabilization for Calculating the Lowest 1 S Resonances of H -- / S.O. Adamson, D.D. Kharlampidi, A.I. Dementiev -- Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes / M.C. Bacchus-Montabonel -- Spin Torque and Zeta Force in Allene-Type Molecules / Masahiro Fukuda, Masato Senami, Akitomo Tachibana -- A Refined Quartic Potential Surface for S0 Formaldehyde / Svetoslav Rashev, David C. Moule -- Operator Perturbation Theory for Atomic Systems in a Strong DC Electric Field / Alexander V. Glushkov |
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Part III: Clusters and Condensed Matter. Structural and Thermodynamic Properties of Au2-58 Clusters / Yi Dong, Michael Springborg, Ingolf Warnke -- An Evaluation of Density Functional Theory for CO Adsorption on Pt(111) / Yu-Wei Huang [and others] -- Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage / Fedor Y. Naumkin, David J. Wales -- A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskite / Taku Onishi -- A Theoretical Study on Proton Conduction Mechanism in BaZrO3 Perovskite / Taku Onishi, Trygve Helgaker -- Molecular Theory of Graphene / E.F. Sheka -- Topological Mechanochemistry of Graphene / E.F. Sheka, V.A. Popova, N.A. Popova -- Theoretical Analysis of Phase-Transition Temperature of Hydrogen-Bonded Dielectric Materials Induced by H/D Isotope Effect / Takayoshi Ishimoto, Masanori Tachikawa -- On Converse Piezoelectricity / Michael Springborg, Bernard Kirtman, Jorge Vargas |
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Part IV: Structure and Processes in Biosystems. -- Analysis of Water Molecules in the Hras-GTP and GDP Complexes with Molecular Dynamics Simulations / Takeshi Miyakawa [and others] -- Bath Correlation Effects on Inelastic Charge Transport Through DNA Junctions / Tal Simon, Daria Brisker-Klaiman, Uri Peskin |
| Summary |
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 |
| Notes |
Includes index |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Online resource; title from PDF title page (SpringerLink, viewed September 16, 2013) |
| Subject |
Quantum chemistry -- Congresses
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Quantum theory -- Congresses
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Chimie.
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Science des matériaux.
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Quantum chemistry
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Quantum theory
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| Genre/Form |
proceedings (reports)
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Conference papers and proceedings
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Conference papers and proceedings.
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Actes de congrès.
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| Form |
Electronic book
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| Author |
Hotokka, Matti, editor
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Brandas, Erkki J., editor
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Maruani, Jean, editor
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Delgado-Barrio, Gerardo, editor
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International Workshop on Quantum Systems in Chemistry and Physics (and Biology) (17th : 2012 : Turku, Finland)
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| ISBN |
9783319015293 |
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331901529X |
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3319015281 |
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9783319015286 |
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