Surface Structure Sensitivity of the Water−Gas Shift Reaction on Cu(h kl) Surfaces:  A Theoretical Study by Wang, Jiang, Ling, Cai, Pan, Zhao, Huang, Wei, Xie, Li, Sun, Zhong, Bing

Get full text

Systematic investigation of the molecular behaviors of heterofullerenes C48X2 (X=B, N) by Xu, Xiufang, Xing, Yumei, Shang, Zhenfeng, Wang, Guichang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang

Get full text

An AM1 Study of the Reaction of Ozone with C60 by SHANG, Zhenfeng, PAN, Yinming, CAI, Zunsheng, ZHAO, Xuezhuang, TANG, Auchin

Get full text

Reconstructing the state space of chaotic BZ reaction system using power spectrum method by Li, Yongjun, Cai, Zunsheng, Li, Yanni, Song, Dahai, Song, Hao, Xi, Baomin, Ma, Keqin, Wu, Benxiang, Zhao, Xuezhuang

Get full text

Theoretical Studies of the Substitution Patterns of Boron−Nitrogen (BN) Fullerenes:  From C 50 up to C 20 B 15 N 15 CBN Ball by Xu, Xiufang, Shang, Zhenfeng, Wang, Guichang, Li, Ruifang, Cai, Zunsheng, Zhao, Xuezhuang

Get full text

Fuzzy symmetries of molecule and molecular orbital: characterization and simple application by Zhao, Xuezhuang, Xu, Xiufang, Wang, Guichang, Pan, Yinming, Cai, Zunsheng

Get full text

Theoretical study of structure and stability of fullerene derivative: C50O by Xu, Xiufang, Xing, Yumei, Yang, Xia, Wang, Guichang, Cai, Zunsheng, Shang, Zhenfeng, Pan, Yinming, Zhao, Xuezhuang

Get full text

Theoretical study of structure and stability of fullerene derivative: C 50 O by Xu, Xiufang, Xing, Yumei, Yang, Xia, Wang, Guichang, Cai, Zunsheng, Shang, Zhenfeng, Pan, Yinming, Zhao, Xuezhuang

Get full text

Patterns for addition to C59BHElectronic supplementary information (ESI) available: Heats of formation and single-point energies for heterofullerenes. See http://www.rsc.org/suppda... by Liang, Yunxiao, Wang, Guichang, Xu, Xiufang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang

Get full text

Theoretical Study on the Rearrangement between the Isomers of C 60 X (X = O and S) by Xu, Xiufang, Shang, Zhenfeng, Wang, Guichang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang

Get full text

A systematic investigation on the molecular behaviors of boron- or nitrogen-doped C40 clusterElectronic supplementary information (ESI) available: Heats of formation for all possib... by Yang, Xia, Wang, Guichang, Shang, Zhenfeng, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang

Get full text

An AM1 Study of the Reaction of Ozone with C 6 0 by Shang, Zhenfeng, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang, Tang, Auchin

Get full text

Systematic investigation of the molecular behaviors of heterofullerenes C 48X 2 (X=B, N) by Xu, Xiufang, Xing, Yumei, Shang, Zhenfeng, Wang, Guichang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang

Get full text

Systematic investigation of the molecular behavior of C 50 X 2 (X = H,F): An echo of the H/F parallels on structures and energetics among their derivatives by Xu, Xiufang, Xing, Yumei, Liang, Yunxiao, Shang, Zhenfeng, Wang, Guichang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang

Get full text

Investigation of the active sites of CO 2 hydrogenation to methanol over a Cu-based catalyst by the UBI-QEP approach by Wang, Guichang, Zhao, Yuzang, Cai, Zunsheng, Pan, Yinming, Zhao, Xuezhuang, Li, Yongwang, Sun, Yuhan, Zhong, Bing

Get full text

Theoretical studies on the mechanism of 1,3-dipolar cycloaddition of methyl azide to [50]fullerene by Xu, Xiufang, Shang, Zhenfeng, Li, Ruifang, Cai, Zunsheng, Zhao, Xuezhuang

Get full text

Anab initio MO study on the direct and migratory reaction mechanism for the formation of HF in H + CIF system by Chen, Lan, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang

Get full text

A new method of controlling chemical chaos by Song, Hao, Cai, Zunsheng, Zhao, Xuezhuang, Li, Yongjun, Xi, Baomin, Li, Yanni

Get full text

Theoretical study on the structures and electron spectra of C60M12 (M=Li, Na, Be) by Tang, Auchin, Shang, Zhenfeng, Teng, Qiwen, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang, Feng, Jikang

Get full text

An AM1 Study of the Reaction of Ozone with C6 0 by Shang, Zhenfeng, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang, Tang, Auchin

Get full text