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Publications of Yan Alexander Wang
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  1. Recent Advances in Orbital-Free Density Functional Theory, edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).
  2. "Preface," T. A. Wesołowski and Y. A. Wang, in Recent Advances in Orbital-Free Density Functional Theory, edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).[PDF]
  3. "From the Hohenberg-Kohn Theory to the Kohn-Sham Equations," Y. A. Wang and P. Xiang, in Recent Advances in Orbital-Free Density Functional Theory, edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).[PDF]
  4. "Defected and Substitutionally Doped Nanotubes: Applications in Biosystems, Sensors, Nanoelectronics, and Catalysis," C. S. Yeung, Y. K. Chen, and Y. A. Wang, in Carbon Nanotubes - Growth and Applications, edited by M. Naraghi (InTech, Rijeka, Croatia, 2011), Chap. 5, pp. 97-132.[PDF]
  5. "First-Principles Computational Studies of the Torsional Potential Energy Surface of the sec-Butyl Radical," Y. K. Chen and Y. A. Wang, Can. J. Chem. 89, 1469-1476 (2011).[PDF]
  6. "Theoretical Studies of of Aum and PtAun Clusters and Their N2 and O2 Adsorption Complexes," Y. K. Chen, W. Q. Tian, and Y. A. Wang, Int. J. Quantum Chem. 112, 65-77 (2011).[PDF]
  7. "LISTb: a Better Direct Approach to LIST," Y. K. Chen and Y. A. Wang, J. Chem. Theory Comput. 7, 3045-3048 (2011).[PDF] (Letter)
  8. "Linear-Expansion Shooting Techniques for Accelerating Self-Consistent Field Convergence," Y. A. Wang, C. Y. Yam, Y. K. Chen, and G. H. Chen, J. Chem. Phys. 134, 241103 (1-4) (2011). (Communication) [PDF] Top 11 Most Downloaded Article in JCP in July 2011  (http://jcp.aip.org/features/most_downloaded?month=7&year=2011)
  9. "Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes," Y. K. Chen, L. V. Liu, W. Q. Tian, and Y. A. Wang, J. Phys. Chem. C 115, 9306-9311 (2011).[PDF]
  10. "Lewis Acidity of Pt-Doped Buckybowls, Fullerenes, and Single-Walled Carbon Nanotubes," C. S. Yeung and Y. A. Wang, J. Phys. Chem. C 115, 7153-7163 (2011).[PDF]
  11. "Isotope Effects and the Temperature Dependences of the Hyperfine Coupling Constants of Muoniated sec-Butyl Radicals in Condensed Phases," D. G. Flemming, M. D. Bridges, D. J. Arseneau, Y. K. Chen, and Y. A. Wang, J. Phys. Chem. A 115, 2778-2793 (2011).[PDF]
  12. "Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals," Y. K. Chen, D. G. Flemming, and Y. A. Wang, J. Phys. Chem. A 115, 2765-2777 (2011).[PDF]
  13. "Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes," C. S. Yeung, Y. K. Chen, and Y. A. Wang, J. Nanotechnol. 2010, Article ID 801789, doi:10.1155/2010/801789 (2010). (Review) [PDF]
  14. "Density Functional Study of Interaction of Atomic Pt with Pristine and Stone-Wales-Defected Single-Walled Boron Nitride Nanotubes," Y. K. Chen, L. V. Liu, and Y. A. Wang, J. Phys. Chem. C 114, 12382-12388 (2010).[PDF]
  15. "Vibrational Assignment and Proton Tunneling in Pyridine-Pyridinium Complexes," S. F. Tayyari, S. J. Mahdizadeh, S. Holakoei, and Y. A. Wang, J. Mol. Struct. 971, 39-46 (2010).[PDF]
  16. "The Nature of Intramolecular Hydrogen Bond in 2-Nitromalonaldehyde," S. F. Tayyari, M. Zahedi-Tabrizi, H. Azizi-Toopkanloo, S. S. Hepperle, and Y. A. Wang, Chem. Phys. 368, 62-65 (2010).[PDF]
  17. "Theoretical Studies on Structures, 13C NMR Chemical Shifts, Aromaticity, and Chemical Reactivity of Finite-Length Open-Ended Armchair Single-Walled Carbon Nanotubes," L. V. Liu, W. Q. Tian, Y. K. Chen, Y. A. Zhang, and Y. A. Wang, Nanoscale 2, 254-261 (2010).[PDF]
  18. "Electronic Structure and Reactivities of Perfect, Defected, and Doped Single-Walled Carbon Nanotubes", W. Q. Tian, L. V. Liu, Y. K. Chen, and Y. A. Wang, in Trends in Computational Nanomechanics: Transcending Length and Time Scales, edited by T. Dumitrica (Springer, Dordrecht, 2010), Chap. 16, p. 421-471.[PDF]
  19. Special Issue: Proceedings from the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI), Int. J. Quantum Chem. 109, No. 14, edited by Y. A. Wang, E. J. Brändas, and J. Maruani, p. 3143-3504 (Wiley, USA, 2009).
  20. "Preface," Y. A. Wang, E. J. Brändas, and J. Maruani, in Special Issue: Proceedings from the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI), Int. J. Quantum Chem. 109, No. 14, edited by Y. A. Wang, E. J. Brändas, and J. Maruani, p. 3143-3144 (Wiley, USA, 2009).[PDF]
  21. "Are the Unconventional Density Variations Really Unconventional?" Y. A. Zhang and Y. A. Wang, Int. J. Quantum Chem. 109, 3199-3216 (2009).[PDF]
  22. "Ab Initio Studies of the Vacancy Defected Fullerenes and Single-Walled Carbon Nanotubes," L. V. Liu, W. Q. Tian, and Y. A. Wang, Int. J. Quantum Chem. 109, 3441-3456 (2009).[PDF]
  23. "Perturbative Total Energy Evaluation in Self-Consistent Field Iterations: Tests on Molecular Systems," Y. A. Zhang and Y. A. Wang, J. Chem. Phys. 130, 144116 (1-8) (2009).[PDF]
  24. "Chemistry of Single-Walled Carbon Nanotubes," C. S. Yeung, W. Q. Tian, L. V. Liu, and Y. A. Wang, J. Comput. Theor. Nanosci. 6, 1213-1235 (2009). (Feature Review Article) [PDF]
  25. "A Brief Computational Study of Decamethyldizincocene Formation via Decamethylzincocene and Diethylzinc," S. S. Hepperle and Y. A. Wang, J. Phys. Chem. A 112, 9619-9622 (2008). (Letter) [PDF]

Last reload: June 6, 2012