2013年论文 2013年论文

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2013

(52) Chen, H.*; Kong, X. Y.; Zheng, W. J.*; Yao, J. N.; Kandalam, A. K.; Jena, P. "Anomalous Property of Ag(BO2)2 Hyperhalogen: Does Spin-Orbit Coupling Matter?" ChemPhysChem 2013, 14, 3303.

(51) Sun, Y. Y.; Chen, H.* "Performance of Density Functionals for Activation Energies of Zr-Mediated Reactions" J. Chem. Theory Comput. 2013, 9, 4735.

(50) Shuai, Z. G.*; Liu, W. J.; Liang, W. Z.; Shi, Q.; Chen, H. "Theoretical Study of the Low-lying Electronic Excited States for Molecular Aggregates" Sci. China Chem. 2013, 56, 1258.

(49) Shi, Q.*; Chen, H.* "Theoretical Methods for Excited State Dynamics of Molecules and Molecular Aggregates" Sci. China Chem. 2013, 56, 1271.

(48) Peng, J.; Chen, C.*; Wang, Y.; Lou, Z. B.; Li, M.; Xi, C. J.; Chen, H.* "Direct Vicinal Disubstitution of Diaryliodonium Salts by Pyridine N-oxides and N-amidates via a 1,3-Radical Rearrangement" Angew. Chem. Int. Ed. 2013, 52, 7574.

(47) Zhang, G. L.; Chen, K. J.; Chen, H.*; Yao, J. N.; Shaik, S. "What Factors Control O2 Binding and Release Thermodynamics in Mononuclear Ruthenium Water Oxidation Catalysts? A Theoretical Exploration" Inorg. Chem. 2013, 52, 5088.

(46) Kang, R. H.; Yao, J. N.*; Chen, H.* "Are DFT Methods Accurate in Mononuclear Ruthenium-Catalyzed Water Oxidation? An ab initio Assessment" J. Chem. Theory Comput. (Letter) 2013, 9, 1872. (ACS JCTC Top 20 Most-Read Articles over the last one month, Web page accessed on April 9th 2013 http://pubs.acs.org/action/showMostReadArticles?journalCode=jctcce&topArticlesType=month)

(45) Zhou, B. W.; Chen, H.*; Wang, C. Y.* "Manganese-Catalyzed Aromatic C-H Alkenylation with Terminal Alkynes" J. Am. Chem. Soc. 2013, 135, 1264.