Selected Publications

• Hongyan Wang; Zhonghua Sun; Roger L. DeKock; Yaoming Xie; R. Bruce King; Henry F. Schaefer III Analogues of the Lavallo--Grubbs Compound Fe3 (C8H8) 3: Equilateral, Isosceles, and Scalene Metal Triangles in Trinuclear Cyclooctatetraene Complexes M3 (C8H8) 3 of the First Row Transition Metals (M= Ti, V, Cr, Mn, Fe, Co, and Ni). Inorganic Chemistry 2011 50: 9256–9265

• Lin, YX (Lin, Yuexia); Wang, HY (Wang, Hongyan); Gao, SM (Gao, Simin); Schaefer, HF (Schaefer, Henry F., III) Hydrogen-Bonded Proton Transfer in the Protonated Guanine-Cytosine (GC+H)+ Base Pair Journal of Physical Chemistry B, 2011 115: 11746-11756

• Z.D Zhang, Z.Y. Zhang, H.Y. Wang, Superfocusing effect in the chain of silver nanorods, Appl. Opt. 2011 50(20): 3513

• Wang, HY (Wang, Hongyan); Sun, ZH (Sun, Zhonghua); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Unsaturation and Variable Hapticity in Binuclear Azulene Iron Carbonyl Complexes Organometallics 2010 29 (3): 630-641

• Wang, HY (Wang, Hongyan); Chen, XH (Chen, Xiaohong); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Mixed Sandwich Compounds C5H5MC8H8 of the First-Row Transition Metals: Variable Hapticity of the Eight-Membered Ring Organometallics 2010 29 (8): 1934-1941

• Wang, HY (Wang, Hongyan); Zhang, JD (Zhang, Jun D.); Schaefer, HF (Schaefer, Henry F., III) The Protonated Guanine-Cytosine Base Pair ChemPhysChem 2010 11 (3): 622-629

• Hongyan Wang, Zhonghua Sun, Yaoming Xie, R. Bruce King and Henry F. Schaefer Chromium-Chromium Bonding in Binuclear Azulene Chromium Carbonyl Complexes Eur. J. Inorg. Chem. 2010(32): 5161-5173

• Wang, HY (Wang, Hongyan); Du, QA (Du, Quan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) The hapticity of cyclooctatetraene in its first row mononuclear transition metal carbonyl complexes: Several examples of octahapto coordination J. Organomet. Chem. 2010 695 (2): 215-225

• Wang, HY (Wang, Hongyan); Sun, ZH (Sun, Zhonghua); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Terminal versus bridging cyclobutadiene rings in binuclear nickel carbonyl derivatives: A cube-antiprism twist of the cyclobutadiene rings in the perpendicular structures New J. Chem. 2010 34 (9): 1885-1892

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); Silaghi-Dumitrescu, I (Silaghi-Dumitrescu, Ioan); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) The mixed sandwich compounds C5H5MC7H7 of the first row transition metals: variable hapticity of the seven-membered ring Mol. Phys. 2010 108 (7-9): 883-894

• Sun, ZH (Sun, Zhonghua); Wang, HY* (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Unsaturation and variable hapticity in binuclear azulene manganese carbonyl complexes Dalton Trans. 2010 39 (44): 10702-10711

• Feng, H (Feng, Hao); Wang, HY* (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Variable hapticity of the cyclooctatetraene ring in sandwich compounds of the first row transition metals J. Organomet. Chem. 2010 695 (22): 2461-2468

• Zhang, ZY (Zhang, Z-Y); Zhang, ZD (Zhang, Z-D); Wang, HY (Wang, H-Y); Xiong, ZH(Xiong, Z-H) Cascade electric field enhancements around small nanorods of brush-shaped nanostructures J. Phys. D-Appl. Phys. 2010 43 (50): 505403

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Vanadium Carbonyl Nitrosyl Compounds: The Carbonyl Nitrosyl Chemistry of an Oxophilic Early Transition Metal Eur. J. Inorg. Chem. 2009 (12): 1647-1656

• Li, XB (Li, Xi-Bo); Wang, HY* (Wang, Hong-Yan); Lv, R (Lv, Ran); Wu, WD (Wu, Wei-Dong); Luo, JS (Luo, Jiang-Shan); Tang, YJ (Tang, Yong-Jian) Correlations of the Stability, Static Dipole Polarizabilities, and Electronic Properties of Yttrium Clusters J. Phys. Chem. A 2009 113 (38): 10335-10342

• Jiao, DS (Jiao, Dongsheng); Wang, HY* (Wang, Hongyan); Zhang, YL (Zhang, Yanlan); Tang, Y (Tang, Yu) A DFT study of thymine and its tautomers Can. J. Chem.-Rev. Can. Chim. 2009 87 (2): 406-415

• Li, XB (Li Xi-Bo); Wang, HY (Wang Hong-Yan); Luo, JS (Luo Jiang-Shan); Wu, WD (Wu Wei-Dong); Tang, YJ (Tang Yong-Jian) Density functional theory study of the geometry, stability and electronic properties of ScnO (n=1-9) clusters Acta Phys. Sin. 2009 58 (9): 6134-6140

• Li, XB (Li Xi-Bo); Wang, HY (Wang Hong-Yan); Luo, JS (Luo Jiang-Shan); Guo, YD (Guo Yun-Dong); Wu, WD (Wu Wei-Dong); Tang, YJ (Tang Yong-Jian) Static dipole polarizabilities of Sc-n (n <= 15) clusters Chin. Phys. B 2009 18 (8): 3414-3421

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Unsaturation in binuclear cyclobutadiene iron carbonyls: Triplet structures, four-electron bridging carbonyl groups, and perpendicular structures Organometallics 2008 27 (13): 3113-3123

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Binuclear iron carbonyl nitrosyls: Bridging nitrosyls versus bridging carbonyls Inorg. Chem. 2008 47 (8): 3045-3055

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Unsaturation in binuclear benzene manganese carbonyls: Comparison with isoelectronic cyclopentadienyliron and cyclobutadienecobalt derivatives Organometallics 2008 27 (18): 4572-4579

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Bis(cycloheptatrienyl) derivatives of the first-row transition metals: Variable hapticity of the cycloheptatrienyl ring Eur. J. Inorg. Chem. 2008 (23): 3698-3708

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Formal chromium-chromium triple bonds and bent rings in the binuclear cycloheptatrienylchromium carbonyls (C7H7)(2)Cr-2(CO)(n) (n = 6, 5, 4, 3, 2, 1, 0): A density functional theory study J. Organomet. Chem. 2008 693 (20): 3201-3212

• Zhang, YI (Zhang, Yan-Ian); Wang, HY* (Wang, Hong-yan); Jiao, DS (Jiao, Dong-sheng); Hu, YH (Hu, Yong-hong) Density Functional Theory Study of Infrared and Ultraviolet Spectra of Urea L-Malic Acid? Chin. J. Chem. Phys. 2008 21 (6): 535-540

• Jiao, DS (Jiao, Dongsheng); Wang, HY* (Wang, Hongyan) Electron affinities of the radicals derived from thymine tautomers Mol. Phys. 2008 106 (24): 2653-2665

• Du, JG (Du, Jiguang); Sun, XY (Sun, Xiyuan); Wang, HY (Wang, Hongyan) The confirmation of accurate combination of functional and basis set for transition-metal dimers: Fe-2, Co-2, Ni-2, Ru-2, Rh-2, Pd-2, Os-2, Ir-2, and Pt-2 Int. J. Quantum Chem. 2008 108 (9): 1505-1517

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); Zhang, JD (Zhang, Jun D.); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Chromium carbonyl nitrosyls: Comparison with isoelectronic manganese carbonyl derivatives Inorg. Chem. 2007 46 (5): 1836-1846

• Wang, HY (Wang Hong-Yan); Li, XB (Li Xi-Bo); Tang, YJ (Tang Yong-Jian); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Structures and electronic properties of Aun-1Cu and Au-n (n <= 9) clusters Chin. Phys. 2007 16 (6): 1660-1664

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Unsaturation in binuclear (cyclobutadiene)cobalt carbonyls with axial and perpendicular structures: Comparison with isoelectronic binuclear cyclopentadienyliron carbonyls Organometallics 2007 26 (6): 1393-1401

• Du, JG (Du, Jiguang); Wang, HY* (Wang, Hongyan); Jiang, G (Jiang, Gang) Structures of the small Ti-n (n=2-5) clusters: A DFT study Theochem-J. Mol. Struct. 2007 817 (1-3): 47-53

• Li, XB (Li, Xi-Bo); Wang, HY* (Wang, Hong-Yan); Yang, XD (Yang, Xiang-Dong); Zhu, ZH (Zhu, Zheng-He); Tang, YJ (Tang, Yong-Jian) Size dependence of the structures and energetic and electronic properties of gold clusters J. Chem. Phys. 2007 126 (8): 084505

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Remarkable aspects of unsaturation in trinuclear metal carbonyl clusters: The triiron species Fe-3(CO)(n) (n=12, 11, 10, 9) J. Am. Chem. Soc. 2006 128 (35): 11376-11384

• Wang, HY (Wang, Hongyan); Xie, YM (Xie, Yaoming); King, RB (King, R. Bruce); Schaefer, HF (Schaefer, Henry F., III) Manganese carbonyl nitrosyls: Comparison with isoelectronic iron carbonyl derivatives Inorg. Chem. 2006 45 (26): 10849-10858

• Wang, HY (Wang, Hongyan); Wang, SY (Wang, Suyun); Yamaguchi, Y (Yamaguchi, Yukio); Schaefer, HF (Schaefer, Henry F., III) Elementary constituents of microdevices: The Ge2H fragment J. Chem. Phys. 2006 125 (16): 164317

• Wang, HY; Xie, YM; King, RB; Schaefer, HF Binuclear cyclopentadienylmetal nitrosyls of iron, cobalt, and nickel: Comparison with related carbonyl derivatives Inorg. Chem. 2006 45 (14): 5621-5629

• Wang, HY; Xie, YM; King, RB; Schaefer, HF Unsaturation in binuclear cyclopentadienyliron carbonyls Inorg. Chem. 2006 45 (8): 3384-3392

• Wang, HY; Wang, SY; Yan, G; Yamaguchi, Y; Schaefer, HF Characterization of the (X)over-tilde(2)A(1), (A)over-tilde(2)B(1), and (X)over-tilde(2)Pi electronic states of the Ga2H molecule and the (X)over-tilde(2)A ' and (A)over-tilde(2)A('') isomerization transition states connecting the three minima J. Chem. Phys. 2006 124 (4): 044309

• Wang, HY; Xie, YM; King, RB; Schaefer, HF Binuclear cyclopentadienylcobalt carbonyls: Comparison with binuclear iron carbonyls J. Am. Chem. Soc. 2005 127 (33): 11646-11651

• Wang, HY; Li, XB; Tang, YJ; Mao, HP; Zhu, ZH? Static polarizabilities of Cu-n, Ag-n and Au-n (n <= 9) clusters Chin. J. Chem. Phys. 2005 18 (1): 50-54

• Wang, Y.Z.; Quillian, B.; Wei, P.R.; Wang, H.Y.; Yang, X.; King, R.B.; Schleyer, P.R.; Schaefer, H.F. On the Chemistry of Zn-Zn Bonds, RZn-ZnR (R= [{(2,6-Pri2C6H3) N(Me)C}2CH]): Synthesis, Structure, and Computations? J. Am. Chem. Soc. 2005 127: 11944-11945