| Description |
1 online resource |
| Series |
Progress in theoretical chemistry and physics, 1567-7354 ; v. 26 |
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Progress in theoretical chemistry and physics ; v. 26.
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| Contents |
880-01 PART 1. -- The Relativistic Kepler Problem and Gödel's Paradox / Erkki J. Brändas -- The Dirac Electron: Spin, Zitterbewegung, the Compton Wavelength, and the Kinetic Foundation of Rest Mass / Jean Maruani -- Molecular Parity Violation and Chirality: The Asymmetry of Life and the Symmetry Violations in Physics / Martin Quack |
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880-01/(S PART 2. -- Application of Density Matrix Methods to Ultrafast Processes / Y.L. Niu, C.K. Lin, C.Y. Zhu, H. Mineo, S.D. Chao, Y. Fujimura, M. Hayashi -- Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models / Takuya Minami, Masayoshi Nakano -- Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules / Manabu Kanno, Hirohiko Kono, Sheng H. Lin, Yuichi Fujimura -- Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation / N. Niitsu, M. Kikuchi, H. Ikeda, K. Yamazaki, M. Kanno, H. Kono, K. Mitsuke, M. Toda -- Systematics and Prediction in Franck-Condon Factors / Ray Hefferlin, Jonathan Sackett, Jeremy Tatum -- Electron Momentum Distribution and Atomic Collisions / Takeshi Mukoyama -- Ab Initio Path Integral Molecular Dynamics Simulations of F 2 H -- and F 2 H 3 + / K. Suzuki, H. Ishibashi, K. Yagi, M. Shiga, M. Tachikawa -- Relativistic Energy Approach to Cooperative Electron-γ-Nuclear Processes: NEET Effect / Olga Yu. Khetselius -- Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions / Alexander V. Glushkov |
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880-02 PART 4. -- DFT Calculations of the Heterojunction Effect for Precious Metal Cluster Catalysts / M. Okumura, K. Sakata, K. Tada, S. Yamada, K. Okazaki, Y. Kitagawa, T. Kawakami -- Luminescence Wavelengths and Energy Level Structure of Dinuclear Copper Complexes and Related Metal Complexes / T. Ishii, M. Kenmotsu, K. Tsuge, G. Sakane, Y. Sasaki, M. Yamashita, B.K. Breedlove. Valence XPS, IR, and Solution 13C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations / Kazunaka Endo, Tomonori Ida, Shingo Simada, Joseph Vincent Ortiz |
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880-02/(S PART 3. -- Solving the Schrödinger Equation for the Hydrogen Molecular Ion in a Magnetic Field Using the Free-Complement Method / Atsushi Ishikawa, Hiroyuki Nakashima, Hiroshi Nakatsuji -- Description of Core-Ionized and Core-Excited States by Density Functional Theory and Time-Dependent Density Functional Theory / Yutaka Imamura, Hiromi Nakai -- Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory / Arvin Huang-Te Li, Sheng D. Chao, Yio-Wha Shau -- Ab initio Study of the Potential Energy Surface and Stability of the Li2 +(X2Σg +) Alkali Dimer in Interaction with a Xenon Atom / S. Saidi, C. Ghanmi, F. Hassen, H. Berriche -- Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters / Akifumi Oda, Yu Takano, Ohgi Takahashi -- Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems / N. Yasuda, Y. Kitagawa, H. Hatake, T. Saito, Y. Kataoka, T. Matsui, T. Kawakami |
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880-03 PART 6. -- Color Tuning in Human Cone Visual Pigments: The Role of the Protein Environment / Jun-ya Hasegawa, Kazuhiro J. Fujimoto, Hiroshi Nakatsuji -- Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane: Coarse-Grained Model Simulation / S. Kawamoto, M. Takasu, T. Miyakawa, R. Morikawa, T. Oda, H. Saito, S. Futaki, H. Nagao -- Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase / Yu Takano, Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura -- The Potentials of the Atoms around Mg2+ in the H-ras GTP and GDP Complexes / T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, H. Nagao -- Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione / Y. Omae, H. Saito, H. Takagi, M. Nishimura, M. Iwayama, K. Kawaguchi, H. Nagao -- Designing the Binding Surface of Proteins to Construct Nano-fibers / Y. Komatsu, H. Yamada, M. Fukuda, T. Miyakawa, R. Morikawa, M. Takasu, S. Akanuma |
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880-03/(S PART 5. -- Quantum Decoherence at the Femtosecond Level in Liquids and Solids Observed by Neutron Compton Scattering / Erik B. Karlsson -- Variational Path Integral Molecular Dynamics Study of Small Para-Hydrogen Clusters / Shinichi Miura -- Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original Kohn-Sham Local Density Approximation / Kimichika Fukushima -- Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory / K. Kanda, S. Yamanaka, T. Saito, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi -- Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism / S. Yamanaka, K. Kanda, T. Saito, Y. Kitagawa, T. Kawakami, M. Ehara, M. Okumura -- Depth Profile Assignments of nm and μm Orders by Quantum Chemical Calculations for Chitosan Films Modified by Kr+ Beam Bombardment / K. Endo, H. Shinomiya, T. Ida, S. Shimada, K. Takahashi, Y. Suzuki, H. Yajima |
| Summary |
Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts |
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I. Fundamental TheoryII. Molecular Processes III. Molecular StructureIV. Molecular PropertiesV. Condensed MatterVI. Biosystems |
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Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011 |
| Analysis |
Chemistry |
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Quantum theory |
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Theoretical and Computational Chemistry |
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Physical Chemistry |
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Quantum Physics |
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Condensed Matter Physics |
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chemie |
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fysische chemie |
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computationele chemie |
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computational chemistry |
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quantumfysica |
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fysica |
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physics |
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Chemistry (General) |
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Chemie (algemeen) |
| Bibliography |
Includes bibliographical references and index |
| Subject |
Quantum theory -- Congresses
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SCIENCE -- Physics -- Quantum Theory.
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Chimie.
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Science des matériaux.
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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 |
Nishikawa, Kiyoshi
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Maruani, Jean, 1937-
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International Workshop on Quantum Systems in Chemistry and Physics (16th : 2011 : Kanazawa-shi, Japan)
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| ISBN |
9789400752979 |
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9400752970 |
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