论文成果
- 1.徐广蕊,陈煜,刘宗怀,Ethanol-tolerant polyethyleneimine functionalized palladium nanowires in alkaline media: The “molecular window gauze” induced the selectivity for the oxygen reduction reaction:材料化学杂志A,2015.9.1,3(无):21083-21089
- 2.Lung Wa Chung,Keiji Morokuma,W. M. C. Sameera,Romain Ramozzi,Alister J. Page,Miho Hatanaka,Galina P. Petrova,Travis V. Harris,Xin Li,Zhuofeng Ke,Hai-Bei Li,Lina Ding,The ONIOM Method and Its Applications:Chemical Reviews,2015.4.8,115(x):5678
- 3.Miho Isegawa,Miho,SatoshiMaeda,KeijiMorokuma,Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways:化学物理杂志,2014.10.1,141(无):154303-9
- 4.Miho Isegawa,Miho,SatoshiMaeda,KeijiMorokuma,Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths:化学物理杂志,2014.6.1,140(24):244310
- 5.Wen Piao,Wen,Satoru Tsuda,Yuji Tanaka,Satoshi Maeda,Shodai Takahashi,Yu Kushida,Toru Komatsu,Tasuku Ueno,Takuya Terai,Toru Nakazawa,Masanobu Uchiyama,Keiji Morokuma,Tetsuo Nagano,Kenjiro Hanaoka,Development of Azo‐Based Fluorescent Probes to Detect Different Levels of Hypoxia:德国应用化学,2013.10.1,52(49):13028–13032
- 6.刘峰毅,Keiji Morokuma,Keiji,Multiple Pathways for Primary Step of Spiropyran Photochromic Reaction: A CASPT2//CASSCF Study:美国化学会志,2013.1.1,135(无):10693–10702
- 7.刘峰毅,Keiji Morokuma,Yuki Kurashige,Keiji,Takeshi Yanai,Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and -CASPT2 Study on the Photochromic Ring-Opening of Spiropyran:化学理论与计算杂志,2013.1.1,9(10):4462-4469
- 8.刘峰毅,Keiji Morokuma,Keiji,Computational Study on the Working Mechanism of a Stilbene Light-Driven Molecular Rotary Motor: Sloped Minimal Energy Path and Unidirectional Nonadiabatic Photoisomerization:美国化学会志,2012.1.1,134(无):4864–4876
- 9.刘峰毅,Yanjun LIU,Yanjun,Luca De Vico,Roland Lindh,Theoretical Study of the Chemiluminescent Decomposition of Dioxetanone:美国化学会志,2009.1.1,131(无):6181-6188
- 10.刘峰毅,Yajun LIU,Luca De Vico,Roland Lindh,A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation:化学物理快报,2009.1.1,484(1):69-75
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