Theoretical Study on the Intersection Structures between Potential Energy Surfaces

Author:

INAMORI Mayu1,IKABATA Yasuhiro2,WANG Qi2,NAKAI Hiromi123

Affiliation:

1. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University,3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, JAPAN

2. Waseda Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, JAPAN

3. ESICB Kyoto University, Kyotodaigaku-Katsura, Nishigyo-ku, Kyoto, Kyoto 615-8520, JAPAN

Publisher

Society of Computer Chemistry Japan

Subject

General Medicine

Reference12 articles.

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2. [2] M. J. Bearpark, M. A. Robb, H. Bernhard Schlegel, Chem. Phys. Lett., 223, 269 (1994). doi:10.1016/0009-2614(94)00433-1

3. [3] B. G. Levine, J. D. Coe, T. J. Martínez, J. Phys. Chem. B, 112, 405 (2008). , doi:10.1021/jp076161818081339

4. [4] S. Maeda, K. Ohno, K. Morokuma, J. Chem. Theory Comput., 6, 1538 (2010). , doi:10.1021/ct100026826615689

5. [5] M. Daniels, W. Hauswirth, Science, 171, 675 (1971). , doi:10.1126/science.171.3972.6755540307

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