Contact Info

Contact Info

Chem D334 (604-822-6773)
604-822-2847
Appointment via email or phone

Curriculum Vitae

Curriculum Vitae

B.Sc., Jilin University (China, 1991); Ph.D., Indiana University at Bloomington (Ernest R. Davidson, 1995); Postdoctoral Fellow, University of North Carolina at Chapel Hill (Robert G. Parr, 1995-1997); Postdoctoral Fellow, University of California at Los Angeles (Emily A. Carter, 1997-2001).

My Links

Wang's Old UBC Homepage

Wang Group Homepage

PhD Studentships Available

Yan Alexander's Publications

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Yan Alexander Wang

Yan Alexander Wang : List of Publications

Yeung, CS, Chen YK, Wang YA.  2011.  Defected and Substitutionally Doped Nanotubes: Applications in Biosystems, Sensors, Nanoelectronics, and Catalysis.
Wang, YA, Yam CY, Chen YK, Chen GH.  2011.  Linear-Expansion Shooting Techniques for Accelerating Self-Consistent Field Convergence. J. Chem. Phys.. 134:241103.
Chen, YK, Liu LV, Tian WQ, Wang YA.  2011.  Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes. J. Phys. Chem. C. 115:9311.
Zhang, YA, Wang YA.  2009.  Perturbative total energy evaluation in self-consistent field Iterations: Tests on molecular systems. Journal of Chemical Physics. 130:8. Abstract
Liu, LV, Tian WQ, Wang YA.  2009.  Ab Initio Studies of Vacancy-Defected Fullerenes and Single-Walled Carbon Nanotubes. International Journal of Quantum Chemistry. 109:3441-3456. Abstract
Wang, YA, Brandas EJ, Maruani J.  2009.  Special Issue: Proceedings from the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI) Preface. International Journal of Quantum Chemistry. 109:3143-3144.
Yeung, CS, Tian WQ, Liu LV, Wang YA.  2009.  Chemistry of Single-Walled Carbon Nanotubes. Journal of Computational and Theoretical Nanoscience. 6:1213-1235. Abstract
Zhang, YA, Wang YA.  2009.  Are the Unconventional Density Variations Really Unconventional? International Journal of Quantum Chemistry. 109:3199-3216. Abstract
Hepperle, SS, Wang YA.  2008.  A brief computational study of decamethyldizincocene formation via diethylzinc and decamethylzincocene. Journal of Physical Chemistry A. 112:9619-9622. Abstract
Tayyari, SF, Najafi A, Afzali R, Emamian S, Wang YA.  2008.  Structure and vibrational assignment of the enol form of 1-chloro-1,1 difluoro-pentane-2,4-dione. Journal of Molecular Structure. 878:10-21. Abstract
Tayyari, SF, Zahedi-Tabrizi M, Afzali R, Laleh S, Mirshahi HA, Wang YA.  2008.  Structure and vibrational assignment of the. enol form of 3-chloro-pentane-2,4-dione. Journal of Molecular Structure. 873:79-88. Abstract
Yeung, CS, Liu LV, Wang YA.  2008.  Adsorption of small gas molecules onto Pt-doped single-walled carbon nanotubes. Journal of Physical Chemistry C. 112:7401-7411. Abstract
Zhang, YA, Monga V, Orvig C, Wang YA.  2008.  Theoretical studies of the tautomers of pyridinethiones. Journal of Physical Chemistry A. 112:3231-3238. Abstract
Zhou, BJ, Wang YA.  2008.  Accelerating the convergence of the total energy evaluation in density functional theory calculations. Journal of Chemical Physics. 128 Abstract
Tayyari, SF, Rahemi H, Nekoei AR, Zahedi-Tabrizi M, Wang YA.  2007.  Vibrational assignment and structure of dibenzoylmethane - A density functional theoretical study. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy. 66:394-404. Abstract
Tayyari, SF, Vakili M, Nekoei AR, Rahemi H, Wang YA.  2007.  Vibrational assignment and structure of trifluorobenzoylacetone - A density functional theoretical study. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy. 66:626-636. Abstract
Tayyari, SF, Zahedi-Tabrizi M, Laleh S, Moosavi-Tekyeh Z, Rahemi H, Wang YA.  2007.  Structure and vibrational assignment of 3,4-diacetyl-2,5-hexanedione. A density functional theoretical study. Journal of Molecular Structure. 827:176-187. Abstract
Yeung, CS, Liu LV, Wang YA.  2007.  Novel nanotube-coordinated platinum complexes. Journal of Computational and Theoretical Nanoscience. 4:1108-1119. Abstract
Zhou, B, Wang YA.  2007.  An accurate total energy density functional. International Journal of Quantum Chemistry. 107:2995-3000. Abstract
Zhou, BJ, Wang YA.  2007.  Total energy evaluation in the Strutinsky shell correction method. Journal of Chemical Physics. 127 Abstract
Liu, LV, Tian WQ, Wang YA.  2006.  Ozonization at the vacancy defect site of the single-walled carbon nanotube. Journal of Physical Chemistry B. 110:13037-13044. Abstract
Liu, LV, Tian WQ, Wang YA.  2006.  Chemical reaction of nitric oxides with the 5-1DB defect of the single-walled carbon nanotube. Journal of Physical Chemistry B. 110:1999-2005. Abstract
Tayyari, SF, Nekoei AR, Vakili M, Hassanpour M, Wang YA.  2006.  Conformational stability, molecular structure, and intramolecular hydrogen bonding of thenoyltrifluoroacetone. Journal of Theoretical & Computational Chemistry. 5:647-664. Abstract
Tian, WQ, Feng JK, Wang YA, Aoki Y.  2006.  Search for suitable approximation methods for fullerene structure and relative stability studies: Case study with C-50. Journal of Chemical Physics. 125:10. Abstract
Zhou, BJ, Wang YA.  2006.  Orbital-corrected orbital-free density functional theory. Journal of Chemical Physics. 124:5. Abstract
Gallant, AJ, Hui JKH, Zahariev FE, Wang YA, MacLachlan MJ.  2005.  Synthesis, structure, and computational studies of soluble conjugated multidentate macrocycles. Journal of Organic Chemistry. 70:7936-7946. Abstract
Ghandi, K, Zahariev FE, Wang YA.  2005.  Theoretical studies of alkyl radicals in the NaY and HY zeolites. Journal of Physical Chemistry A. 109:7242-7250. Abstract
Thomson, RK, Zahariev FE, Zhang Z, Patrick BO, Wang YA, Schafer LL.  2005.  Structure, bonding, and reactivity of Ti and Zr amidate complexes: DFT and X-ray crystallographic studies. Inorganic Chemistry. 44:8680-8689. Abstract
Tian, WQ, Wang YA.  2005.  Dynamics of the Staudinger reaction. Journal of Chemical Theory and Computation. 1:353-362. Abstract
Zahariev, FE, Wang YA.  2005.  Extension of the universal density functional to the domain of unnormalized densities. Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B. 4A-4B:1193-1196. Abstract
Zhou, B, Wang YA.  2005.  Recovering orbital information from orbital-free density functional theory. Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B. 4A-4B:1458-1461. Abstract
Tian, WQ, Wang YA.  2004.  Mechanisms of Staudinger reactions within density functional theory. Journal of Organic Chemistry. 69:4299-4308. Abstract
Zahariev, FE, Wang YA.  2004.  Functional derivative of the universal density functional in Fock space. Physical Review A. 70:18. Abstract
Zhou, BJ, Wang YA, Carter EA.  2004.  Transferable local pseudopotentials derived via inversion of the Kohn-Sham equations in a bulk environment. Physical Review B. 69:15. Abstract
Rolke, J, Zheng Y, Brion CE, Wang YA, Davidson ER.  1998.  Valence orbital electron momentum distributions for oxygen: comparison of EMS measurements with theory. Chemical Physics. 230:153-186. Abstract
Rolke, J, Cann N, Zheng Y, Hollebone BP, Brion CE, Wang YA, Davidson ER.  1995.  MOMENTUM PROFILES FOR OPEN-SHELL MOLECULES - STUDIES OF THE HOMOS OF NO, O-2, AND NO2 BY ELECTRON MOMENTUM SPECTROSCOPY AND SCF, POST-HARTREE-FOCK AND DFT CALCULATIONS. Chemical Physics. 201:1-21. Abstract

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