王彬 - 福州大学 - 化学学院

研究领域

计算化学 1.各类新颖团簇在几何、电子结构以及化学成键等方面的理论研究。 2.进一步探索团簇及其块材在催化等方面的应用。

近期论文

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Wang, B.; Zhai, H. J.; Huang, X.; Wang, L. S. J. Phys. Chem. A 2008, 112, 10962. On the Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster. Wang, B.; Zhang, X. H.; Huang, X.; Zhang, Y. F. Chinese J. Struct. Chem. 2008, 27, 990. Dedicated to Professor Zhang Qianer on the occasion of his 80th birthday. Superoxide Complex [W4O12(O2-)]:A Theoretical Study. Zhai, H. J.; Wang, B.; Huang, X.; Wang, L. S. J. Phys. Chem. A 2009, 113, 9804. Structural Evolution, Sequential Oxidation, and Chemical Bonding in Tri-Tantalum Oxide Clusters: Ta3On- and Ta3On (n = 1-8). Zhai, H. J.; Wang, B.; Huang, X.; Wang, L. S. J. Phys. Chem. A 2009, 113, 3866. Probing the Electronic and Structural Properties of the Niobium Trimer Cluster and Its Mono- and Dioxides: Nb3On- and Nb3On (n = 0-2). Wang, B.; Chen, W. J.; Zhao, B. C.; Zhang, Y. F.; Huang, X. J. Phys. Chem. A 2010, 114, 1964. Tetratungsten Oxide Clusters W4On-/0 (n = 10-13): Structural Evolution and Chemical Bonding. Lin, S. J.; Zhang, X. H.; Xu, L.; Wang, B.; Zhang, Y. F.;* Huang, X.* J. Phys. Chem. A 2013, 117, 3093-3099. Probing the electronic properties of W3Ox–/0 (x = 0–2) and W32– clusters: the aromaticity of W3 and W32–. Wu, N.; Zhang, C. F.; Zhou, Q.; Huang, X.; Zhang, Y. F.; Ding, K. N.; Wang, B.* Chinese J. Struct. Chem. 2013, 32, 1046-1054. DFT Study on the Electronic and Structural Properties of MoS6-/0 Clusters. Wang, B.;* Wu, N.; Zhang, X. B.; Huang, X.; Zhang, Y. F.; Chen, W. K.; Ding, K. N. J. Phys. Chem. A 2013, 117, 5632-5641. Probing the Smallest Molecular Model of MoS2 Catalyst: S2 Units in the MoSn-/0 (n = 1-5) Clusters. Lin, S. J.; Gong, W. C.; Wang, L.F.; Liu, W. B.; Zhao, B. C.; Wang, B.; Zhang, Y. F.*; Huang, X. Theor. Chem. Acc., 2014, 133, 1435(14 pages). Group VB Transition Metal Oxide Clusters M4On-/0 (M = Nb, Ta; n = 8-11): Structural Evolution and Chemical Bonding. Wang, L. F.; Xie, L.; Fang, H. L.; Li Y. F.; Zhang, X. B.; Wang, B.; Zhang, Y. F.; Huang X. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2014, 131, 446–454. On the structural and electronic properties of hexanuclear vanadium oxide clusters V6On-/0 (n = 12–15): Is V6O12 cluster planar or cage-like?