Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster
Chen, Bo Le, Sun, Wei Guo, Kuang, Xiao Yu, Lu, Cheng, Xia, Xin Xin, Shi, Hong Xiao, Maroulis, George
Published in Inorganic chemistry (02.01.2018)
Published in Inorganic chemistry (02.01.2018)
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Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1-8) clustersElectronic supplementary information (ESI) available: The average direct M-C distances and the vibration frequencies for ground states, the Wiberg bond order between carbon and alkali atoms, the second low-lying isomers of MnC (M = Na, K, Rb and Cs; n = 1-8) clusters, as well as the contour maps of the HOMOs and electron localization function plots for the selected ground state MnC clusters. See
Shao, Peng, Chen, Bo-Le, Ding, Li Ping, Luo, Dao-Bin, Lu, Cheng, Kuang, Xiao-Yu
Year of Publication 27.09.2017
Year of Publication 27.09.2017
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Journal Article
Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB 12 – Cluster
Chen, Bo Le, Sun, Wei Guo, Kuang, Xiao Yu, Lu, Cheng, Xia, Xin Xin, Shi, Hong Xiao, Maroulis, George
Published in Inorganic chemistry (02.01.2018)
Published in Inorganic chemistry (02.01.2018)
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Journal Article
Probing the Interactions of O 2 with Small Gold Cluster Au n Q ( n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au 5 O 2 Cluster Predicted
Shi, Hong Xiao, Sun, Wei Guo, Kuang, Xiao Yu, Lu, Cheng, Xia, Xin Xin, Chen, Bo Le, Hermann, Andreas
Published in Journal of physical chemistry. C (09.11.2017)
Published in Journal of physical chemistry. C (09.11.2017)
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Journal Article
Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB 12 - Cluster
Le Chen, Bo, Sun, Wei Guo, Kuang, Xiao Yu, Lu, Cheng, Xia, Xin Xin, Shi, Hong Xiao, Maroulis, George
Published in Inorganic chemistry (11.12.2017)
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Published in Inorganic chemistry (11.12.2017)
Journal Article
Probing the Interactions of O2 with Small Gold Cluster Au n Q (n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted
Shi, Hong Xiao, Sun, Wei Guo, Kuang, Xiao Yu, Lu, Cheng, Xia, Xin Xin, Chen, Bo Le, Hermann, Andreas
Published in Journal of physical chemistry. C (09.11.2017)
Published in Journal of physical chemistry. C (09.11.2017)
Get full text
Journal Article