|
|
t.miyahara qcri.or.jp |
|
Author of
| 12 | Circular Dichroism Spectra of Uridine Derivatives: ChiraSac Study, J. Phys. Chem. A (in press). |
| 11 | ?Conformational Dependence of the Circular Dichroism Spectrum of α?Hydroxyphenylacetic Acid: A ChiraSac Study, Tomoo Miyahara and Hiroshi Nakatsuji, J. Phys. Chem. A 117, 14065-14074 (2013). |
| 10 | Helical Structure and Circular Dichroism Spectra of DNA: A Theoretical Study, T. Miyahara, H. Nakatsuji, and H. Sugiyama, J. Phys. Chem. A 117, 42-55, (2013) . |
| 9 | SAC-CI methodology applied to molecular spectroscopy and photo-biology, J. Hasegawa, T. Miyahara, H. Nakashima, H. Nakatsuji, AIP Conf. Proc. Theory and Applications of Computational Chemistry (TACC), 1456, 101-108, (2012). |
| 8 | Absorption spectra of nucleic acid bases studied by the symmetry-adapted-cluster configuration-interaction (SAC-CI) method, T. Miyahara, J. Hasegawa, and H. Nakatsuji, Collection of Czechoslovak Chemical Communications, 76, 537-552 (2011). |
| 7 | Circular Dichroism and Absorption Spectroscopy for Three-Membered Ring Compounds Using Symmetry-Adapted Cluster-Configuration Interaction (SAC-C) Method, T. Miyahara, J. Hasegawa, and H. Nakatsuji, Bulletin of the Chemical Society of Japan, 82, 1215-1226 (2009). |
| 6 | Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method: Effect of Protein-environment and Mutation, J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji, Journal of Computational Chemistry, 28, 2443-2452 (2007). |
| 5 | Symmetry-adapted-cluster/symmetry-adapted-cluster configuration interation methodology extended to giant molecular systems. Ring molecular crystals, H. Nakatsuji, T. Miyahara, and R. Fukuda, Journal of Chemical Physics, 126, 084104-1-14 (2007). |
| 4 | Excited States of Porphyrin Isomers and Porphycene Derivatives: A SAC-CI Study, J. Hasegawa, K. Takata, T. Miyahara, S. Neya, H. Nakatusji, Journal of Physical Chemistry A, 109, 3187-3200(2005). |
| 3 | Electronic Excitations of the Green Fluorescent Protein Chromophore in its Protonation States: SAC/SAC-CI study, A. K. Das, J. Hasegawa, T. Miyahara, M. Ehara, H. Nakatsuji, Journal of Computational Chemistry, 24, 1421-1431 (2003). |
| 2 | Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study, T. Miyahara, H. Nakatsuji, J. Hasegawa, A.Osuka, N.Aratani, A. Tsuda, Journal of Chemical Physics, 117, 11196-11207 (2002). |
| 1 | SAC/SAC-CI Study of the Ground, Excited and Ionized States of Cytochromes P450CO, T. Miyahara, Y. Tokita, H. Nakatsuji, Journal of Physical Chemistry B, 105, 7341-7352 (2001). |
Invited lectures
| 4 | ??????Conformational dependence of circular dichroism spectra with ChiraSac study, Cambodian Malaysian Chemical Conference (CMCC) 2012, ?Sem Reap, Cambodia, ?Oct. 19-21, 2012 |
| 3 | Helical structure and circular dichroism spectra of DNA : SAC-CI study, QCRI JST-CREST Symposium, Kyoto, Japan, Apr. 30 2011 (In Japanese). |
| 2 | Photo-electronic processes of giant molecular systems : photo-induced phase transition of TTF-TCNE crystal and circular dichroism spectroscopy of DNA components, The 3rd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computaional Chemistry, Bratislava, Slovakia, Sep. 9-12, 2009. |
| 1 | Toward giant-system quantum science computations: application to DNA and molecular crystal, SuperComputer Workshop 2009, Okazaki, Japan, Jan. 19-21 2009 (In Japanese). |