Tomoo Miyahara

  • 量子化学研究協会研究所 (量化研) – 第三部門 部門長
    Quantum Chemistry Research Institute, Head of Division Three

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).

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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,
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).