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Quantum systems in chemistry and physics [electronic resource] : progress in methods and applications / Kiyoshi Nishikawa...[et al.], editors.



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Publication date:
Dordrecht ; New York : Springer, c2013.
  • Book, Conference Proceedings
  • 1 online resource.
Includes bibliographical references and index.
  • 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
  • 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
  • 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.
  • 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 --
  • 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 --
  • 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 --
Nishikawa, Kiyoshi.
Maruani, Jean, 1937-
International Workshop on Quantum Systems in Chemistry and Physics (16th : 2011 : Kanazawa-shi, Japan)
Progress in theoretical chemistry and physics, 1567-7354 ; v.26
Progress in theoretical chemistry and physics ; v.26.

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