Multiscale Simulation Study on the Curing Reaction and the Network Structure in a Typical Epoxy System
Liu, Hong, Li, Min, Lu, Zhong-Yuan, Zhang, Zuo-Guang, Sun, Chia-Chung, Cui, Tian
Published in Macromolecules (08.11.2011)
Published in Macromolecules (08.11.2011)
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Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene)
Yu, Guangtao, Huang, Xu-Ri, Chen, Wei, Sun, Chia-Chung
Published in Journal of computational chemistry (15.07.2011)
Published in Journal of computational chemistry (15.07.2011)
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Nonlinear Optical Properties of Alkalides Li+(calix[4]pyrrole)M- (M = Li, Na, and K): Alkali Anion Atomic Number Dependence
Chen, Wei, Li, Zhi-Ru, Wu, Di, Li, Ying, Sun, Chia-Chung, Gu, Feng Long, Aoki, Yuriko
Published in Journal of the American Chemical Society (01.02.2006)
Published in Journal of the American Chemical Society (01.02.2006)
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Journal Article
Structural and Dynamic Basis of Human Cytochrome P450 7B1: A Survey of Substrate Selectivity and Major Active Site Access Channels
Cui, Ying-Lu, Zhang, Ji-Long, Zheng, Qing-Chuan, Niu, Rui-Juan, Xu, Yu, Zhang, Hong-Xing, Sun, Chia-Chung
Published in Chemistry : a European journal (07.01.2013)
Published in Chemistry : a European journal (07.01.2013)
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Journal Article
Structural and electronic properties of boron-doped lithium clusters: Ab initio and DFT studies
Li, Ying, Wu, Di, Li, Zhi-Ru, Sun, Chia-Chung
Published in Journal of computational chemistry (30.07.2007)
Published in Journal of computational chemistry (30.07.2007)
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Journal Article
Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIIIO]+: Explicit Electronic Structure Analysis
Sun, Xiao-Li, Huang, Xu-Ri, Li, Ji-Lai, Huo, Rui-Ping, Sun, Chia-Chung
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.02.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.02.2012)
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Theoretical Study on Photophysical Properties of Ambipolar Spirobifluorene Derivatives as Efficient Blue-Light-Emitting Materials
Ran, Xue-Qin, Feng, Ji-Kang, Ren, Ai-Min, Li, Wen-Chao, Zou, Lu-Yi, Sun, Chia-Chung
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2009)
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Journal Article
Computer Simulation of Cyclic Block Copolymer Microphase Separation
Qian, Hu-Jun, Lu, Zhong-Yuan, Chen, Li-Jun, Li, Ze-Sheng, Sun, Chia-Chung
Published in Macromolecules (22.02.2005)
Published in Macromolecules (22.02.2005)
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Journal Article
The formation and decomposition of firefly dioxetanone
Min, Chun-gang, Ren, Ai-min, Li, Xiao-na, Guo, Jing-fu, Zou, Lu-yi, Sun, Ying, Goddard, John D., Sun, Chia-chung
Published in Chemical physics letters (20.04.2011)
Published in Chemical physics letters (20.04.2011)
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Theoretical Study on the Considerable Second-Order Nonlinear Optical Properties of Naphthylimido-Substituted Hexamolybdates
Yan, Li-Kai, Jin, Ming-Shun, Zhuang, Jia, Liu, Chun-Guang, Su, Zhong-Min, Sun, Chia-Chung
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
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Journal Article
The lithium-orientation effect on the hyperpolarizability in the short zigzag-edged monolithiated aza-Möbius graphene ribbon [2,7] isomers
Wang, Yin-Feng, Wang, Yi, Li, Zhi-Ru, Li, Zhuo, Xu, Hong-Liang, Sun, Chia-Chung
Published in International journal of quantum chemistry (15.08.2011)
Published in International journal of quantum chemistry (15.08.2011)
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Journal Article
Theoretical Studies on Low-Lying Electronic States of Cyanocarbene HCCN and Its Ionic States
Zhao, Zeng-Xia, Zhang, Hong-Xing, Sun, Chia-Chung
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.11.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.11.2008)
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