中国科学院机构知识库网格系统: 检索

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	The ONIOM Method and Its Applications 期刊论文 OAI收割 chemical reviews, 2015, 卷号: 115, 期号: 12, 页码: 5678-5796 作者: Chung, Lung Wa; Sameera, W. M. C.; Ramozzi, Romain; Page, Alister J.; Hatanaka, Miho 收藏 \|
	Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study 期刊论文 OAI收割 scientific reports, 2015, 卷号: 5, 页码: 12091 作者: Jiao,Menggai; Li,Kai; Guan,Wei; Wang,Ying; Wu,Zhijian 收藏 \|
	Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer 期刊论文 OAI收割 journal of chemical theory and computation, 2014, 卷号: 10, 期号: 8, 页码: 3319-3330 作者: Li, Xin; Chung, Lung Wa; Morokuma, Keiji; Li, Guohui 收藏 \|
	Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations 期刊论文 OAI收割 nanoscale, 2014, 卷号: 6, 期号: 1, 页码: 140-144 Wang, Ying; Page, Alister J.; Li, Hai-Bei; Qian,Hu-Jun; Jiao,Meng-gai; Wu,Zhi-Jian; Morokuma,Keiji; Irle,Stephan 收藏 \|
	Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density 期刊论文 OAI收割 journal of physical chemistry c, 2014, 卷号: 118, 期号: 20, 页码: 11078-11084 Jiao,Menggai; Qian,Hujun; Page,A; Li,Kai; Wang,Ying; Wu,Zhijian; Irle,Stephan; Morokuma; Morokuma,Keiji 收藏 \|
	Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D-0 and D-1 Potential Energy Surfaces 期刊论文 OAI收割 journal of chemical theory and computation, 2013, 卷号: 9, 期号: 2, 页码: 893-900 作者: Fu, Bina; Bowman, Joel M.; Xiao, Hongyan; Maeda, Satoshi; Morokuma, Keiji 收藏 \|
	Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces 期刊论文 OAI收割 journal of chemical theory and computation, 2013, 卷号: 9, 期号: 2, 页码: 893 傅碧娜; Joel M. Bowman; Hongyan Xiao; Satoshi Maeda; Keiji Morokuma 收藏 \|