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y.honda qcri.or.jp |
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Original Articles
| 1 | Current oscillations during the oxidation of formic acid on Pt(100) as studied by in situ time-resolved infrared reflection absorption spectroscopy Y. Honda, M. -B. Song, M. Ito Chem. Phys. Letters 273, 141-146 (1997). |
| 2 | Force concept for predicting the geometries of molecules in an external electric field Y. Honda, H. Nakatsuji Chem. Phys. Letters 293, 230-238 (1998). |
| 3 | Excited and Ionized States of p-Benzoquinone and Its Anion Radical: SAC-CI Theoretical Study Y. Honda, M. Hada, M. Ehara, H. Nakatsuji J. Phys. Chem. A 106, 3838-3849 (2002). |
| 4 | Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method Y. Honda, M. Hada, M. Ehara, H. Nakatsuji, J. Downing, J. Michl Chem. Phys. Letters 355, 219-225 (2002). |
| 5 | Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study Y. Honda, M. Hada, M. Ehara, H. Nakatsuji J. Chem. Phys. 117, 2045-2052 (2002). |
| 6 | Theoretical studies on magnetic circular dichroism by the finite perturbation method with relativistic corrections Y. Honda, M. Hada, M. Ehara, H. Nakatsuji, J. Michl J. Chem. Phys. 123, 164113-1-9 (2005). |
| 7 | SAC and SAC-CI Calculations of Excitation and Circular Dichroism Spectra of Straight-Chain and Cyclic Dichalcogens J. Seino, Y. Honda, M. Hada, H. Nakatsuji J. Phys. Chem. A 110, 10053-10062 (2006). |
| 8 | Ground and Excited States of Singlet, Cation Doublet, and Anion Doublet States of o-Benzoquinone: A Theoretical Study Y. Honda, M. Hada, M. Ehara, H. Nakatsuji J. Phys. Chem. A 111, 2634-2639 (2007). |
| 9 | Excitation and Circular Dichroism Spectra of (-)-(3aS,7aS)-2-chalcogena-trans-hydrindans (Ch=S, Se, Te): SAC and SAC-CI Calculations Y. Honda, A. Kurihara, M. Hada, H. Nakatsuji J. Comp. Chem. 29, 612-621 (2008). |
| 10 | Excitation and Circular Dichroism Spectra of (+)-(S,S)-bis(2-methylbutyl)chalcogenides Y. Honda, A. Kurihara, Y. Kenmochi, M. Hada Molecules 15, 2357-2373 (2010). |
| 11 | Calculations and Electronic Analyses of 55Mn and 13C Nuclear Magnetic Shielding Constants for Mn(CO)5X (X = H, F, Cl, Br, I, and CH3) and M(CO)(NH3)3 (M = Cr2+, Fe2+, Cu+, and Zn2+) H. Tanimura, A. Kitahori, C. Kuzuoka, Y. Honda, M. Hada Bull. Chem. Soc. Jpn. 83, 514-519 (2010). |
| 12 | Nuclear Magnetic Shielding and Aromaticity of [18]Annulene and its Quasi-Mobius-Type Analogues H. Tanimura, Y. Honda, K. Sugiura, M. Hada Bull. Chem. Soc. Jpn. 84, 845-854 (2011). |
| 13 | Quantum-Chemical Calculations of Natural Circular Dichroism Y. Honda, M. Hada Computing Letters , in press. |
Other Publication
| 1 | SAC/SAC-CI Program Combined with GAUSSIAN for Calculating Ground, Excited, Ionized, and Electron-Attached States and Singlet, Doublet, Triplet, Quartet, Quintet, Sextet, and Septet Spin States and Their Analytical Energy Gradients H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai Gaussian 03 program package , Gaussian Inc. (2003). |
Invited Lecture
| 1 | Theoretical Studies on Natural and Magnetic Circular Dichroism Spectra by the SAC/SAC-CI Method 7th Japan-China Crossover Science Symposium Fuzhou (China) 2009. 9. 22-26. |
Contributed Talks (International)
| 1 | Theoretical Studies on Circular Dichroism Spectra of L-Alanine The World Association of Theoretical and Computational Chemists (WATOC) 2008 Sydney (Australia) 2008. 9. 14-19. |
| 2 | Theoretical Prediction of Natural and Magnetic CD Spectra by the SAC/SAC-CI Method 12th International Conference on Circular Dichroism & 5th Interdisciplinary Symposium on Biological Chirality (CD-ISBC2009) Brescia (Italy) 2009. 8. 30.- 9. 4. |