代表性著作

1. Jiunn-Hung Pan^*, Bo-Cheng Wang^* and Huan-Sheng Yan, Theoretical Investigation of Electronic Structure of Fluorene-Based π-Conjugated Polymer, Submitted. 

2. Yu-Ma Chou^*, Houng-Wei Wang, Yih-Jiun Lin, Wen-Hao Chen and Bo-Cheng Wang^* , A DFT-PBC study of infinite single-walled boron-nitride nanotubes with various tubular diameters, Diamond and related materials, in press. 

3. Kenichirou Yokota, Masayori Hagimori, Yasuhiro Shigemitsu, Naoko Mizuyama, Bo-Cheng Wang, and Yoshinori Tominaga, Synthesis and fluorescence of Quinolizino[2,1,-b]Quinolizine derivatives, Heterocycles, in press. 

4. Yih-Jiuh Lin, Jian-Chuang Chang, Chen-Kuen Tai, Bo-Cheng Wang^* and Feng-Yinn Lin,^* Deposition rate effect of Alq₃ thin film growth: A kinetic Monte Carlo study. Australian Journal of Chemistry, 61, 600-609 (2008). 

5. Bo-Cheng Wang^* ,Yu-Ma Chou,and Yu-Tsai Dung,“Structural and Optical Properties of Passivated Silicon Nanoclusters with Different Shapes: A theoretical investigation” J. Phys. Chem. A, 112, 6351-6357 (2008). 

6. Chen-Kuen Tai, Yih-Jiun Lin, Pao-Ling Yeh, Yi-Ren Tzeng, Yu-Ma Chou and Bo-Cheng Wang,^* Effect of substituent and solvent on the structure and spectral properties of maleimide derivatives, J. Molecular Structure (Theochem), 860, 58-63 (2008). 

7. Hsien-Ren Liao, Yu-Ma Chou, Fen-Tair Luo and Bo-Cheng Wang^*, Theoretical of optical and electronic properties of p-terphenyls containing cyano substituents as promising light-emitting materials” J. of Luminescence,128, 1373-1378 (2008). 

8. Bo-Cheng Wang^*, Wen-Hao Chen, Houng-Wei Wang and Michitoshi Hayashi, Localized Gaussian type orbital-periodic boundary condition-density functional theory study of infinite-length single-walled carbon nanotubes with various tubular diameters, J. Phys. Chem. A, 112, 1783-1790 (2008). 

9. Jiunn-Hung Pan, Yu-Ma Chou, Houn-Lin Chiu and Bo-Cheng Wang^* “Theoretical Investigation of the Molecular Conformation and Reorganization Energies in the Organic diamines as Hole-Transporting Materials” J. Physical Organic Chemistry, 20, 743-753 (2007). 

10. Bo-Cheng Wang^*, Feng-Yinn Lin, Jian-Chuang Chang and Chen-Kuen Tai, Step-Flow growth on semiconductor-like stepped surface:  A kinetic Monte Carlo study, J. of Theo. & Comp. Chem., 6, 1-13 (2007). 

11. Bo-Cheng Wang^*, Hsien-Ren Liao, Jian-Chuang Chang, Likey Chen, Jyi-Tyan Yeh, Electronic Structure and Molecular Orbital Study of Hole Transport Material Triphenyl Amine Derivatives, J. of Luminescence, 124, 333-342 (2007). 

12. Y.-C. Lin, H.-R. Liao, Y.-S. Chang,B.-C. Wang^* and L.-L. Yang^*,3D-QSAR Study on Structure and Energetic of 118 Flavonoids Derivatives, J. Chinese Chemical Society, 53, 1251-1261 (2006). 

13. Bo-Cheng Wang^* and Chin-Kuen Tai, DFT-PCM studies of the solvent effects on the absorption properties of DCM, J. of Theo. & Comp. Chem., 5, 957-966 (2006). 

14. Jinug-Hung Pan, Houn-Lin Chiu, Likey Chen and Bo-Cheng Wang^*, Theoretical Investigations of Triphenylamine Derivatives as Hole Transporting materials in OLEDs: Correlation of Hammett Parameter of the Substituent to Ionization Potential and Reorganization Energy Level. Computational Material Science, 38, 105-112 (2006). 

15. H. F. Hsu*, H. C. Chen, C. H. Kuo, B. C. Wang and H. T. Chiu, Design and investigation of calamitic liquid crystals with low aspect-ratios: rigid Y-shaped 1,2,4-tris(4-alkoxyphenyl ethynyl) benzenes. J. Mate. Chem., 15, 4854-4861 (2005). 

16. Jiunn-Hung Pan, Houn-Lin Chiu and Bo-Cheng Wang^*, Theoretical Investigation of Pyrazolo[3,4-b]quinoline Derivatives as Emitting Materials, Tamkang J. of Science and Engineering, 8, 175-183 (2005). 

17. Jiunn-Hung Pan, Houn-Lin Chiu and Bo-Cheng Wang^*, Theoretical Investigation of Carbazole Derivatives as Hole-Transporting Materials in OLEDs, J. Molecular Structure (Theochem), 725, 89-95 (2005). 

18. Bo-Cheng Wang^*, Hsien-Ren Liao and Chin-Ti Chen, Theoretical Investigation of the First Excited State of 3,4-diary-substituted Maleimide Fluorophores, J. Luminescence, 113, 321-328 (2005). 

19. Bo-Cheng Wang^*, Hsien-Ren Liao, Wen-Hao Chen, Jyi-Tyan Yeh and Jian-Chuang Chang, Accurate prediction of electro-luminescent properties in red emission DCM, DCJ, RED and DAD derivatives. J. Molecular Structure (Theochem), 716, 19-25 (2004). 

20. B. C. Wang^*, J. C. Chang, J. H. Pan and F. T. Luo, Theoretical Investigation of Electroluminescent Material 1,4-Distyrylbenzene Derivatives, J. Molecular Structure (Theochem), 636, 81-87 (2003). 

21. B. C. Wang^*, H. W. Wang, I. C. Lin,Y. S. Lin, and H. L. Chiu, A Semiempirical Study of Carbon Nanotube with Finite Tubular Length and Various Tubular Diameters, J. Chinese Chemical Society, 50(5), (2003), 939-945. 

22. H. Meng^*, J. Zheng, A. J. Lovinger, B. C. Wang, P. G. Van Patten and Z. Bao, Oligofluorene-thiophene Derivatives as High Performance Semiconductors for Organic Thin Film Transistors, Chemistry of Materials, 15, 1778-1783 (2003). 

23. B. C. Wang^*, J. C Chang, H. C. Tso, H. F. Hsu and C. Y. Cheng, Theoretical Investigation The Electroluminescence characteristics of Pyrene and Its Derivatives, J. Molecular Structure (Theochem), 629, 11-20 (2003). 

24. B. C. Wang^*, J. C. Chang, J. C. Jiang and S. H. Lin, Ab initio Study of ammoniated ammonium ions NH₄⁺(NH₃)_0-6, Chemical Physics, 276, 93-106 (2002). 

25. B. C. Wang^*, H. W. Wang, H. C. Tso and T. L. Chen, Theoretical Studies of C₇₀(OH)_n (n= 14, 16, 18 and 20) fullerenols, J. Molecular Structure (Theochem), 581, 177-186 (2002). 

26. C. Y. Cheng, T. L. Chen and B. C. Wang^*, Molecular Dynamics Simulation of Separation Mechanisms in Bonded Phase Liquid Chromatography, J. Molecular Structure (Theochem), 577, 81-90 (2002). 

27. X. M. Hong^*, H. E. Katz, A. J. Lovinger, B. C. Wang and K. Raghavachari, Thiophene-phenylene and Thiophene-thiazole Oligomeric Semiconductors with High Field-effect Transistor On/off Ratios. Chemistry of Materials, 13, 4686-4691 (2001). 

28. I. C. Kao^*, Y. L. Hwang, C. P. Cheng, W. J. Wang, B. C. Wang,  K. C. Hwang Production of CarbonNanotubes in Air, Fullerene Science and Tech., 9(3), 321-328 (2001). 

29. H. Meng^*, Z. Bao, A. J. Lovinger, B. C. Wang^* and A. M. Mujsce, High Field Effect Mobility Oligofluorene Derivatives with High Environmental Stability, J. Am. Chem. Soc., 123, 9214-9215 (2001). 

30. B. C. Wang^*, H. W. Wang, J. C. Cheng and Y. M. Chou, More Spherical Large Fullerenes and Multi-layered Carbon Cages, J. Molecular Structure (Theochem), 540, 171-176 (2001). 

31. B. C. Wang^*, Y. S. Lin and P. Y. Wang, Theoretical Studies of Azulene and Its Derivatives, Canadian J. of Chemistry, 78, (2000). 

32. D. Y. Hwang. A. M. Mebel and B. C. Wang, Ab initio Study of the Addition of Atomic Carbon with Water, Chemical Physics, 244, 143-149 (1999). 

33. B. C. Wang, L. Chen, H. W. Wang and Y. M. Chou, Spherical Shape of The Goldberg Type Giant Fullerenes, Synt. Metal, 103, 2448-2449 (1999). 

34. Likey Chen, Kuei-Jen Lee and Bo-Cheng Wang, Semiempirical Molecular Dynamics Studies of C₆₀/C₇₀ Fullerene Oxides: C₆₀O, C₆₀O₂ and C₇₀O. J. Molecular Structure (Theochem), 469, 127-134 (1999). 

35. J. C. Jiang, J. C. Chang, B. C. Wang, S. H. Lin, Y. T. Lee and H. –C. Chang, The Free-OH Stretching Frequencies of 3-Coordinated H₂O in Water Clusters and Ice Surfaces, Chemical Physics Letters, 289, 373-382 (1998). 

36. Chang-Yuan Cheng, Kuei-Jen Lee, Yong Li and Bo-Cheng Wang, Molecular Dynamics Simulation of Polymers Adsorbed on Alumina Surface, J. Adsorbed Science and Technology, 12(7), 695-712 (1998). 

37. Bo-Cheng Wang, Likey Chen, Yu-Ma Chou, Theoretical Studies of C₆₀/C₇₀ Fullerence Derivatives: C₆₀O and C₇₀O, J. Molecular Structure (Theochem), 422/1-3, 153-158 (1998). 

38. Ying-Nan Chiu, Jimei Xiao, Xuliang Jiang, Bo-Cheng Wang, Pavel Galina, Frederick E. Wang, Valence Point and Symmetry Views of the Structure of Carbon Clusters, Fullerenes and Metallofullerenes, J. Molecular Structure (Theochem), 389, 37-67 (1997). 

39. Bo-Cheng Wang and Chang-Yuan Cheng, Structure and Stabilities of C₆₀(OH)₆ and C₆₀(OH)₁₂ Fullerenols, J. Molecular Structure (Theochem), 391, 179-187 (1997). 

40. Bo-Cheng Wang, Ming-Hua Tsai and Yu-Ma Chou, Comparative Theoretical Study of Carbon Nanotubes and Boron-Nitrogen Nanotubes, Synthetic Metals, 886, 2379-2380 (1997). 

41. Bo-Cheng Wang, Liang-Jye Yu and Wen-Jwu Wang, A Semiempirical Study of C24N4 and Its Boron-Nitrogen Analogues, Int. J. Quantum Chemistry, 57, 465-470 (1996). 

42. Bo-Cheng Wang, Likey Chen and Ying-Nan Chiu, A Theoretical Study of C₆₀, C₇₆ and C₈₄ Fullerenes and Their Isomeric Rearrangement Mechanisms by Semiemprical Methods, Fullerene Science and Technology, 3(5), 611-625 (1995). 

43. Bo-Cheng Wang, Icosahedral and Tetrahedral Giant and Hyperfullerenes, Synthetic Metals, 70, 1439-1442 (1995). 

44. W. J. Wang, H. S. Chiu, L.J. Yu and B. C. Wang, Electrochemical Doping of Tetraethylammonium on C₆₀ Film, Synt. Metals, 70, 1439-1442 (1995). 

45. W. J. Wang, H. S. Chiu, L. J. Yu and B. C. Wang, Dissociation and Reduction Behavior of C₆₀ Film, Synt. Metals, 70, 1465-1468 (1995). 

46. Ying-Nan Chiu, Parel Ganelin, Xuliang Jiang and Bo-Cheng Wang, 1995, Structural Symmetry Analysis of Possille Addition Elimination and Isomeric Reanangement Mechamisms of Fullerenes, J. of Mole. Stru(Theochem). 334, 47-74 (1995). 

47. Ying-Nan Chiu, Parel Ganelin, Xuliang Jiang and Bo-Cheng Wang, Symmetry and Isomeric Structures of Giant Fullerenes and Polyhedral Clusters, J. of Mole. Stru(Theochem). 312, 215-250 (1994). 

48. Ying-Nan Chiu, Bo-Cheng Wang, Symmetry and Geometry of Polyhedral Atomic and Molecular Clusters, J. of Mole. Stru(Theochem). 283, 13-25 (1993). 

49. Bo-Cheng Wang and Ying-Nan Chiu, Geometry and Orbital Symmetry Relationships of Giant and Hyperfullerenes: C₂₄₀, C₅₄₀, C₉₆₀ and C₁₅₀₀, Synt. Metals, 55-57, 2949-2954 (1993). 

50. Bo-Cheng Wang, Liang-Jye Yu and Wen-Jwu Wang, Calculations on Heterofullerenes: C₂₄N₄, C₃₆N₄ and C₅₂N₄, J. of Chin. Chem. Soc., 40, 503-507 (1993). 

51. Bo-Cheng Wang and Ying-Nan Chiu, Atomic Overlaps, Molecular Orbitals and Vibrational Transformations in the Polyhedral clusters M₁₂ (O_h) and M₁₂ (I_h), J. Mole. Stru. (Theochem), 258, 15-39 (1992). 

52. Bo-Cheng Wang and Ying-Nan Chiu, The Exact Icosahedral symmetry relation for atomic Merlapsi, Molecular Orbitals and vibrational species species of C60 Buckyballs, J. Chin. Chem. Soc., 39, 111-115 (1992). 

53. Bo-Cheng Wang and Ying-Nan Chiu, Symmetry Analysis of The Electronic Structure of Polyhedron Cluster M₁₂ (O_h), M₁₂ (I_h) and M₆₀ (I_h), J. Mole. Stru. (Theochem), 231, 1-20 (1991).