1993年3月晉升為教授,1995年被遴選為博士生導師,享受國務院特殊津貼。現為山東大學物理化學省級重點學科負責人,山東大學化學與化工學院學術委員會副主任,山東省化學化工學會理事,山東省化學化工學會物理化學專業委員會主任,中國化學會理論與計算化學專業委員會委員,中國化學會化學動力學專業委員會委員,《化學物理學報》等學報編委。曾任國家自然科學基金評審。 先後3次在國際學術會議上做特邀報告,5次作大會報告。
基本介紹
- 中文名:劉成卜
- 國籍:中華人民共和國
- 民族:漢族
- 出生日期:1948-09-01
- 職業:教授(博導)
人物基本信息,學術簡介,教學經歷,國際學術會議上的貢獻,主要論著,科研項目,
人物基本信息
姓 名 劉成卜
性 別 男
出生日期 1948-09-01
職 稱 教授(博導)
研究類別 物理化學
工作單位 理論化學研究所
學術簡介
教學經歷
1980.09-1986.07 山東大學化學系研究生,
1986年7月獲理學博士學位。導師:中科院院士鄧從豪教授。
2000.08 -2000.12 日本筑波大學,從事溶液理論合作研究。合作者:菊池修教授1993年3月晉升為教授,1995年被遴選為博士生導師,享受國務院特殊津貼。現為山東大學物理化學省級重點學科負責人,山東大學化學與化工學院學術委員會副主任,山東省化學化工學會理事,山東省化學化工學會物理化學專業委員會主任,中國化學會理論與計算化學專業委員會委員,中國化學會化學動力學專業委員會委員,《化學物理學報》等學報編委。曾任國家自然科學基金評審。
國際學術會議上的貢獻
先後3次在國際學術會議上做特邀報告,5次作大會報告。主講課程 1、高等數學 2、高等量子化學 3、分子光譜學4、李群與李代數 研究領域和興趣 1. 量子化學理論方法研究; 2. 分子反應動力學理論方法研究;3. 微觀與介觀體系的分子模擬方法研究;4. 生命、藥學及材料科學中的理論化學問題。
主要論著
⒈ 劉成卜,鄧從豪,“氫分子(H2) 基態的相關函式與相關能”,山東大學學報,1985年,第2期,104.2. Deng Conghao,Liu Chengbu,“N-Representability and Method of Linear Variation of Second-Order Reduced Density Matrices”,J.Mol. Sci.,1985,3⑵,151.3. Liu Chengbu,Deng Conghao “N-Representability of Reduced Density Matrices with Preimage Wavefunction Specified by Racah Scheme”,J. Mol. Sci.,1987,5⑵,145.4 Liu Chengbu,Deng Conghao,“Several Conclusions Concerning Diffuse Functions”,Chem. J. Chin. Univ.,1987,3⑵,56.5. 劉成卜,鄧從豪,“關於彌散函式的幾個結果”,高等學校化學學報,1988,9⑵,157.6. Sun Jiazhong,Li Bofu,Zeng Zonghao,Liu Chengbu“On the Construction of n-Electron States with Symplectic Symmetry”,Chem. J. Chin. Univ.,1989,5⑷,344.7. 劉成卜,鄧從豪,“BH4-,CH4,NH4+, H4O2+,H4F3+,BH32-,CH3-,NH3,H3O+,H3F2+等電子系的從頭算研究”, 山東大學學報, 1989,24⑶,53.8. 劉成卜,曾宗浩,孫家鐘,“具有辛群對稱性的一類n電子波函式的研究”,科學通報,1990,第10期,758.9. Liu Chengbu,Zeng Zonghao,Sun Jiazhong“Investigation on a Class of Wavefunctions with Symplectic Symmetry”,Chinese Science Bulletin,1990,35,2057.10. 金北雁,劉成卜*,胡海泉,孫家鐘,“兩類雙粒子函式建造的n電子波函式的擴展及其套用”,物理化學學報,1990,6,456.11. 劉成卜,李伯符,“辛群群鏈不可約表示基函式的組態相互作用方法”,吉林大學學報,1991,第一期,68.12. 胡海泉,劉成卜*,金北雁,孫家鐘,“具有辛群對稱性的一類價激發n電子波函的性質和套用”,高等學校化學學報,1991,12,648.13. Liu Chengbu,Deng Conghao,Hu Haiquan,Jin Beiyan,“The Properties of n-Electron Wave Functions Built Up with Two Kinds of Geminals”,Int.J. Quantum Chem.,1992,42,339.(SCI)14. Liu Chengbu,Deng Conghao,Jin Beiyan,Hu Haiquan,“Applications of n-Electron Wave Functions Built Up with Two Kinds of Geminals”,Int. J.Quantum Chem.,1992,43,301. (SCI)15. Ding Shiliang,Liu Chengbu,Deng Conghao,Dong Shunle,“Semiclassically Statistical Method for the Fission of Unimolecules into Two Free Radicals”,J. Mol. Sci.,1993,9⑵,117.16. Dong Shunle,Deng Conghao,Liu Chengbu,“Theoretical Study of Multiphoton Dissociation for Resonant Decay Widths and Resonant Energies”,J. Mol. Sci.,1993,9⑵,89.17. 劉成卜,孫華斌,鄧從豪,“矽甲基硼烯異構化為矽硼雜烯機理理論研究”,中國博士後論文集,國防工業出版社,1993,1415 - 1418.18. Sun Huabin,Liu Chengbu*,Zhao Liming,“Mechanism of the Concerted Ring Expansion of Singlet Cyclopropyl Nitrene”,Chem. Phys. Letts.,1994,228,268. (SCI)19. 孫華斌,劉成卜*,丁世良, 鄧從豪,“矽甲基硼烯異構化反應機理研究”,化學學報,1994,52,740.20. 孫華斌,劉成卜*,鄧從豪,“環丙基氮烯開、閉環異構化反應理論研究”,化學學報,1994,52,556.21. Liu Chengbu,Sun Huabin,Lu Deng,Deng Conghao,“Theoretical Studies of the Isomerizations of Singlet and Triplet Silyl Nitrene”,Science in China (Series B),1994,37,1161. (SCI)22. 劉成卜,孫華斌,鄧從豪,“矽甲基氮烯異構化反應的理論研究”,中國科學(B輯),1994,24⑹,567. (SCI)23. 王沂軒,劉成卜,鄧從豪,“HXLiF(X=B,Al)分子幾何構型的從頭算”,高等學校化學學報,1995,16⒆,1445.(SCIE)24. 孫華斌,劉成卜,關大任,“大氣臭氧損耗中雙自由基反應機理的量子化學研究”,環境科學,1996,17⑵,32.25. 孫利鵬,馬驁,王沂軒,劉成卜,“CF3C(O)F 水合作用的熱力學和動力學理論研究”,物理化學學報,1996,12⑷,361.26. 馬驁,孫利鵬,王沂軒,劉成卜,鄧從豪,“CF3CO和CF3C(O)O自由基分解反應理論研究”,高等學校化學學報,1996,17⑸,777.(SCIE)27 劉成卜,“第4屆中日理論化學討論會述評”,國際學術動態,1997,81,4528. 孫華斌,王修德, 劉成卜,鄧從豪,“類氮烯NHLiF的構型和異構化理論研究”,化學學報,1997,55,250.(SCIE)29. Yufang Zhou,Jiajian Wang,Chengbu Liu,“The Cluster Study on Doping Energy of a-Si:H”,Solid State Commun.,1997,103⑾,615. (SCI)30. 王沂軒,劉成卜,孫利鵬,馬驁,“CF3C(O)F 解離和異構化反應的熱力學和動力學理論研究”,山東大學學報, 1997,32⑶,302.31. 趙黎明,孫華斌,劉成卜,“大氣臭氧損耗中的 Diels-Alder反應”,《研究與探索》,上海科學技術出版社,上海,1997 年6月第一版,130-135.32. 胡海泉, 劉成卜,“二氟矽雜環丙烯異構化反應的理論研究”, 物理化學學報, 1998,14⑷,349.(SCIE)33. 盧秀慧,王沂軒,劉成卜, 鄧從豪, “矽烯與甲醛環加成反應的理論研究”,化學學報,1998,56,1075-1080.(SCI)34. Yufang Zhou and Chengbu Liu, “Theoretical study of C-H bonds of a-C:H”, J. Phys.Chem. s. 1998,59,1021-1023. (SCI)35. 胡海泉,劉成卜,“雙自由基CF2與O3的反應機理”,物理化學學報,1998,14,1104.(SCIE)36. 胡海泉,劉成卜,“矽雜環丙烯異構化反應的理論研究”,化學學報,1998,56,1180. (SCI)37. 胡海泉, 劉成卜,“雙自由基CH2與O3反應機理的理論研究”,高等學校化學學報,1998,19,2023.(SCIE)38. 盧秀慧,王沂軒,劉成卜,“鍺烯與甲醛環加成反應的理論研究”,高等學校化學學報,1998,19,2001-2004.(SCIE)39. 胡海泉,劉成卜,“單重態CCl2與O3反應機理的理論研究”,化學學報,1999,57,29.(SCI)40. 盧秀慧, 王沂軒, 劉成卜,“二氯矽烯與乙烯和甲醛環加成反應機理的理論研究”,高等學校化學學報,1999,20,612-615 (SCI)41. 盧秀慧,劉成卜,鄧從豪,“二氟矽烯與甲醛環加成反應機理的理論研究”,物理化學學報,1999,15,78-81.(SCIE)42. 盧秀慧, 王沂軒, 劉成卜,“鍺烯與乙烯環加成反應的理論研究”,化學學報,1999,57,1343.(SCI)43. 張冬菊,李林尉,馮大誠,步宇翔,劉成卜,“溶液中M(H2O)62+/3+(M=V,Cr,Mn,Fe,Co)自交換電子轉移體系內層重組能和活化能的理論研究”,高等學校化學學報,1999,20,945-950. (SCI)44. Yuxiang Bu,Xinyu Song and Chengbu Liu,"Theoretical Study of V2+OH2/V3+OH2 Electron Transfer Reactivity at Electron Correlation Level",J. Phys. Chem. A,1999,103,4485-4493. (SCI)45. Wen Cai Lu,Cheng Bu Liu and Chia Chung Sun,"Theoretical Study of the H3PNH+H2CO Reaction Mechanism Via Five Reaction Channels",J. Phys. Chem. A,1999,103,1078-1083. (SCI)46. Wang Yi-Xuan,Li Lin-Wei,Bian Wen-Sheng,Liu Cheng-Bu*,Deng Cong-Hao,"On the accuracy of the potential harmonic functions",Chin. J. Chem.,1999,17⑹,561-569. (SCI)47. Dongju Zhang,Yuxiang Bu and Chengbu Liu,"Theoretical Study of the Inner-Sphere Energy Barrier of the Transition-Metal Complex M(H2O)62+/3+ in Electron-Transfer Process",Int. J. Quantum Chem.,1999,75,119-126. (SCI)48. Hai Quan Hu,Yong Jun Liu,Da Cheng Feng,Cheng Bu Liu*,“Ground State Spins of Bicarbenes and Binitrenes,Coupled through Electron-Rich Rings”,Chin.Chem. Lett.,1999,10⑾,937-940.(SCIE)49. Yuxiang Bu,Xingyu Song,Chengbu Liu,“Cr2+OH2/Cr3+OH2 electron transfer reactivity: an ab initio study at UMP2/6-311+G* level including all electron correlation”,J.Mol. Struct. (Theochem),1999,489,141-149. (SCI)50. Yuxiang Bu,Chengbu Liu,“O2+O2-electron transfer reactivity in the quartet state from ab initio calculation including electron correlation”,J. Mol. Struct. (Theochem),1999,490,7-20. (SCI)51. Y.F. Zhou and C.B.Liu,“Theoretical study of HOCl adsorption on ice surface”,J.Phys. Chem. s.,1999,60,2001-2004. (SCI)52. Hai Quan Hu,Xian Zhao,Da Cheng Feng,Cheng Bu Liu*,“Coupling between Two No Radicals Linked through Electron-Rich Rings”,Chin.Chem.lett.,2000,11⑵,123-126.(SCIE)53. Dongju Zhang,Fangzhen Liang,Dacheng Feng,Chengbu Liu,“Ab initio study of the reorganization barrier for bent triatomic species”,Chem. Phys. Letters,2000,317,430-436. (SCI)54. Dongju Zhang,Bingyou Zhuang,Dacheng Feng,Chengbu Liu,"Theoretical Study of Self-Exchange Electron-Transfer Reactions for the M(H2O)62+/3+ (M=V,Cr,Mn,and Fe) Systems",Int. J. Quantum Chem.,2000,78,32-41. (SCI)55. 王沂軒, 弭雲傑, 劉成卜*, “類氦離子 1,3P激發態Schrodinger 方程的直接解“, 化學物理學報,2000,13⑶,270-274.56. Bian Wensheng,Liu Chengbu and H.J.Werner,"A fully ab initio potential energy surface for ClH2 reactive system",Science in China (Series B),2000,43⑷,396-404. (SCI)57.Yufang Zhou,Chengbu Liu,"Ab initio Study of Ice Catalyzation of HOCl +HCl Reaction",Int. J. Quantum Chem.,2000,78,281. (SCI)58. Haiquan Hu,Dongju Zhang,Zhida Chen,Chengbu Liu*,"Influence of structural parameters of Cu2O2 core on magnetic coupling in alkoxo-bridged Cu(Ⅱ) binuclear system",Chem. Phys. Lets.,2000,329,255-260. (SCI)59. 劉成卜,“計算化學要理論與實驗相結合”,國際學術動態,2000,109⑷,63.60. 邊文生,劉成卜,H.J.Werner,"ClH2反應體系的一個完全從頭算的勢能面",中國科學(B輯),2000,30⑸,473. (SCI)61. 任燕,馮大誠,劉成卜,"聚醚類材料模型化合物接觸電荷轉移複合物的理論研究",山東大學學報,2000,35⑶,310.62. Wang Yixuan,Bu Yuxiang,Liu Chengbu*,"Exact Radial Solution of the Non-relativistic Schrodinger Equation for the Helium Atom with the Potential Harmonic Method",Chem. Res. Chin. Univ.,2000,16,213-217. (SCI)63.Wang Yixuan,Zhuang Bingyou,Liu Chengbu*,"Performance of Hyperspherical Harmonic Expansion on the Low-lying P and D States of Helium Atom",Chem. Res. Chin. Univ.,2000,16,351-355. (SCI)64. 楊國生,嚴波,雷林,王文剛,劉成卜,“三唑烯醇手性識別的分子力學研究”,高等學校化學學報,2000,21,1745-1747. (SCI)65 Yongjun Liu,Ying Liu,Xianghe Kong,Min Xia,Chengbu Liu,“Theoretical Investigation on Second-Order Nonlinear Optical Properties of Substituted Benzothiazole Derivatives”,J. Theor. & Exp. Chem.,2000,36,333. 66. 張冬菊, 胡海泉, 劉永軍,步宇翔,劉成卜,“Co(H2O)62+/3+體系電子轉移反應動力學的理論研究”,物理化學學報, 2000,16,855.(SCIE)67. Yuxiang Bu,Chengbu Liu,“The Orientation and Distance-Dependence Analysis of the Electron Transfer Reactivity: An Electron Correlation Level Investigation of Mn2+(H2O)2/Mn3+(H2O)2 System”,J. Comput. Chem. 2000,21,1387. (SCI)68. 劉永軍,劉 英, 趙 顯,劉成卜,“新型雙重電荷轉移分子的二階非線性光學性質的理論研究”, 化學學報,2001,59,48-55.(SCI)69. Liu Yongjun,Liu Ying,Zhao Xian,Hu Haiquan,Zhang Dongju,Liu Chengbu*,“Theoretical Study on Second-order Nonlinear Optical Properties of Substituted Thiazole Derivatives”,Chin. J. Chem.,2001,19⑷,332. (SCI)70. 劉永軍,劉英,劉成卜*,“N—甲基—吡咯烷並[3,4]C60衍生物的結構,電子光譜和二階非線性光學性質的理論研究”,化學學報,2001,59,906.(SCI) 71. 劉永軍, 劉英 ,趙顯, 劉成卜*,“氮雜聯苯乙烯系列衍生物的二階非線性光學性質的理論研究”, 高等學校化學學報,2001,22,1016.(SCI)72. Haiquan Hu,Dongju Zhang,Yongju Liu,Chengbu Liu*,“Magnetic Coupling Mechanism in Singly Bridged Binuclear Systems”,Chem. Phys. Lett. 2001,340,370. (SCI)73. Haiquan Hu,Yongju Liu,Dongju Zhang,Chengbu Liu*,“Effect of Structural and Chemical Parameters on Magnetic Coupling in Hydroxo-Bridged Cu(Ⅱ) Dimer”,J. Mol. Struct. (THEOCH),2001,546,73. (SCI)74. Dongju Zhang,Haiquan Hu,Yongjun Liu,Chengbu Liu,“The electron transfer reaction for Co(H2O)62+/3+”,J. Mol. Struct. (THEOCH),2001,543,177. (SCI)75. 張冬菊,莊丙游,劉永軍,胡海泉,劉成卜,“非金屬氧化-還原反應對MO2/MO2-(M=N,S,Cl)電子轉移反應動力學”,高等學校化學學報,2001,22,810. (SCI)76. Yongjun Liu,Dongju Zhang,Haiquan Hu,Chengbu Liu,“Theoretical studies on the electronic spectra and second-order nonlinear optical properties of N-methyl-2-(2-thiophene)-pyrrolo[3,4]C60”,J. Mol. Struct. (THEOCH),2001,545,97. (SCI)77. 胡海泉,劉成卜*,劉永軍,張冬菊,畢思瑋,“草酸根橋聯雙核銅(Ⅱ)體系的磁耦合機理”, 化學學報,2001,59,1054.(SCI)78. 張冬菊,劉成卜*, “過渡金屬離子與烷烴反應機理的理論研究”, 化學學報, 2001,59,1406.(SCI)79. Zhang Dongju,Liu Chengbu*,Hu Haiquan,Liu Yongjun,“Density Functional Studies of the C-F Bond Activation of CF3 Radical by Bare Co+”,Chinese J. Chem.,2001,19,938-942. (SCI)80.Chengbu Liu,Haiquan Hu,Xiaohua Yang,“A practicable parameter describing magnetic interactions”,Chem. Phys. Letters,2001,349,89-94. (SCI)81. Siwei Bi,Chengbu Liu*,Haiquan Hu,Changqiao Zhang,"Theoretical study on magnetic coupling interaction for Cu(Ⅱ) binuclear systems with extended bridging groups",Chem. Phys. Letters,2001,350,551-557. (SCI)82.Dongju Zhang,Changqiao Zhang,Chengbu Liu*,“Density functional studies of reactivity in the C-F bond activation of fluoromethane by bare lanthanum monocation”,J. Organometalic Chem.,2001,640,121-126.(SCI)83.Dongju Zhang,Chengbu Liu*,“Reorganization criteria and their effects on inner-sphere barriers for transition metal redox pairs M(H2O)62+/3+(M=V,Cr,Mn,Fe and Co)”,New J.Chem.,2002,26,361-366.(SCI)84.Zhang Dongju,Liu Chengbu*,Liu Yongjun,Hu Haiquan,“Density Functional Study on the Reaction Mechanism for the Reaction of Ni+ with Ethane”,Chin. J. Chem.,2002,20,220-226.(SCI)85.Liu yongjun,Hu Haiquan,Zhang Dongju,Liu Chengbu*,“ZINDO-SOS Studies on Second-order Nonlinear Optical Properties of Thiophene S,S-Dioxide Chromophores”,Chem. Res. Chin. U.,2002,18⑴,42-46. (SCIE)86.Dong JU Zhang,Cheng Bu Liu*,“Density Functional Studies of the Reaction of Ytterbium Monocation with Fluoromethane: C-F Bond and Electron-Transfer Reactivity”,Chin. Chem. Letters,2002,13⑷,359-362. (SCI)87.王沂軒,張長橋,劉成卜*,“超球坐標下引入含簇結構相關函式初探”,山東大學學報,2002,37⑴,70-73.88.張冬菊,張長橋,劉成卜*,“過渡金屬離子與烷烴反應機理的理論研究”,高等學校化學學報, 2002,23,876-879.(SCI) 89.張冬菊,宋其聖,劉成卜*,“吩噻嗪與四甲基哌啶氧銨正離子的電子轉移反應動力學研究”,結構化學,2002,21,325-330.(SCI)90.Siwei Bi,Chengbu Liu*,Changqiao Zhang,“Structural Modeling and Magnetostructural Correlations for Heterobinuclear Cu(Ⅱ)-Ni(Ⅱ) Complex”,Inter. J. Quantum Chem.,2002,88,347-354. (SCI)91.Dongju Zhang,Chengbu Liu*,Siwei Bi,“Density Functional Studies of the Reactions of Lanthanide Monocations with Fluoromethane: C-F Bond Activation and Electron-Transfer Reactivity”,J. Phys. Chem. A,2002,106,4153-4157. (SCI)92.畢思瑋,劉成卜*,“以 N-N基團為單橋的雙核Cu(Ⅱ)體系磁-結構關聯的理論研究”,化學學報,2002,60⑻,1390-1395. (SCI)93.Youmin Sun,Hongyu Zhang,Dezhan Chen and Chengbu Liu*,“Theoretical Elucidation on the Antioxidant Mechanism of Curcumin: A DFT Study”,Org. Letters,2002,4⒄,2909-2911.(SCI)94.孟凡翠,步宇翔,劉成卜,“吡啶-BH3相互作用複合物的理論研究”,化學學報,2002,60,7-12. (SCI)95.Fancui Meng,Yuxiang Bu,Chengbu Liu,“Theoretical study of the pyridine-BF3 complex”,J. Mol. Struc. (Theochem),2002,588,1-8. (SCI)96.Daren Guan,Xizhang Yi,Qingtian Meng,Yujun Zheng,Chengbu Liu,Yuansheng Jiang,“Statistical mechanics in rotationally inelastic scattering of molecules from surface within the dynamical Lie algebraic method”,Chem. Phys. 2002,280,239-255. (SCI)97. Siwei Bi,Chengbu Liu*,Haiquan Hu,“Theoretical Study on Magnetostructural Correlation in Unsymmetrical Oxamidocopper (Ⅱ) Complexes”,J. Phys. Chem. B,2002,106,10786-10792. (SCI)98.Wu Ailing,Liu Chengbu,Zhao Xian,Bian Xiufang,"Hyperspherical Harmonic Expansions of Potential 1/rjt of Molecular Systems",Chin. J Chem.,2002,20,968-971.(SCI)99. Youmin Sun,Dezhan Chen,Chengbu Liu*,“Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy”,J. Mol. Struc. (Theochem),2002,618,181-189.(SCI)100.周玉芳,劉成卜*, “有機生色團分子的內部極化機制”,高等學校化學學報,2002,23(增刊),191-193.(SCI)101.孟凡翠,劉成卜*, “ 吡啶-BX3(X=H,F,Cl)相互作用的理論研究”,高等學校化學學報,2002,23(增刊),313-316.(SCI)102.胡海泉,陳志達,劉成卜,“端接配體原子的電負性對磁耦合作用的影響”,化學學報,2002,60,1794-1797.((SCI)103.Haiquan Hu,Zhida Chen,Chengbu Liu,“Useful Parameter Describing Magnetic Interactions in Extended Bis-Bidentate Bridged Dimers”,Inter. J. Quantum Chem.,2003,92,428-432.(SCI)104.Dongju Zhang,Chengbu Liu*,Siwei Bi,and Shiling Yuan,“ A Comprehensive Theoretical Study on the Reactions of Sc+ with CnH2n+2(n=1-3): Structure,Mechanism,and Potential-Energy Surface”,Chem. Eur. J.,2003,9,484-501. (SCI)105.Fancui Meng,Chengbu Liu*,Weiren Xu,“Substituent effects of R (R=CH3,CH3O,F and NO2) on the A:T and C:G base pairs: a theoretical study”,Chem. Phys. Letters,2003,373,72-78.(SCI)106.苑世領,劉成卜*,徐桂英,蔡政亭,“聚合物PVP與表面活性劑AOT相互作用的介觀模擬”,高等學校化學學報,2003,24,1048-1051.(SCI)107.Wei Du,Guosheng Yang,Xinqiang Wang,Shiling Yuan,Lan Zhou,Dong Xu,Chengbu Liu,“Enantioseparation of 15 organic phosphonate esters on the cellulose tris(3,5-dimethylphenyl carbamate) chiral stationary phase by HPLC”,Talanta,2003,60,1187-1195.(SCI)108. Chengbu Liu,Dongju Zhang,Wensheng Bian,“Theoretical investigation of the reaction of Co+ with OCS”,J. Phys. Chem. A,2003,107,8618-8622. (SCI)109 Dongju Zhang,Chengbu Liu*,Wensheng Bian,“Theoretical study of the reactivity of Fe+ toward OCS”,J. Phys. Chem. A,2003,107,8955-8960. (SCI) 110.徐為人,劉成卜*,王建武,“四氫小檗鹼的三維結構和核磁共振的理論研究”, 中草藥,2003,34⑿,1068-1071.111.徐為人,劉成卜*,王建武,“粉防己鹼三維構象的分子動力學模擬”, 天津中草藥,2003,20⑸,67-73.112. You-Min Sun,Cheng-Bu Liu*,“A Comparison of Transition States During H-Atom Abstraction of Monophenols and Catechol by Merhyl Radical”,Eur. J. Org. Chem.,2004⑴,120-128.(SCI)113. You-min Sun,Cheng-Bu Liu*,Xian-Jie Lin and Si-wei Bi,“Theoretical study on the magneto-structural correlation in imidazolate bridged Cu(Ⅱ) binuclear complexes”,New J. Chem.,2004,28,270-274.(SCI)114. Siwei Bi,Chengbu Liu*,“Theoretical study of magnetic coupling interaction in terephthalato-bridged Ni(Ⅱ) binuclear systems”,Inter. J. Quantum Chem.,2004,97,802-807.(SCI)115. Guosheng Yang,Shiling Yuan,Xianjie Lin,Zhongnan Qi,Chengbu Liu,Hongxiao Tian,Guy Felix and Hassan Y. Aboul-Enein,“A Study of Interaction in High Performance Liquid Chromatography by Molecular Modeling”,Analytical Letters,2004,37,529-543.(SCI)116.劉成卜,武劍,鄭斌,“應當進一步加強處理複雜化學體系的理論方法研究”,《新世紀的物理化學——學科前沿與展望》,國家自然科學基金委員會組編,北京,科學出版社,2004年4月第一版,81-98.117. Fancui Meng,Weiren Xu,Chengbu Liu*,“Theoretical study of incorporating 6-thioguanine into a guanine tetrad and their influence on the metal ion-guanine tetrad”,Chem. Phys. Letters,2004,389,421-426.(SCI)118. Fancui Meng,Weiren Xu,Chengbu Liu*,“Theoretical study of various H-bond nonclassical A:T and G:C pairs”,J. Mol. Struct. (Theochem),2004,677,85-90. (SCI)119.徐為人,王建武,劉成卜*,“苯甲醛肟偶極互變反應的理論研究”,高等學校化學學報,2004,25,880.(SCI)120. Daren Guan,Xian Zhao,Xizhang Yi,Chengbu Liu,and Yuansheng Jiang,“Statistical Dynamics of Energy Transfer in Direct Inelastic Gas-Surface Scattering within Dynamical Lie Algebraic Method”,in: Horizons in World Physics(Editor:A.Reimer),Vol.244,229-250.2004 Nova Science Publishers,Inc.121.Sun Youmin,Wang Ruoxi,Yuan Shiling,Lin Xianjie,Liu Chengbu*,“Theoretical Study on the Antioxidant Activity of Curcumin”,Chin. J. Chem.,2004,22,827-830. (SCI)122. Guo-Sheng Yang,Shi-Ling Yuan,Xian-Jie Lin,Zhong-Nan Qi,Cheng-Bu Liu,Hassan Y. Aboul-Enein,Guy F¨¦lix,“The study of chiral discrimination of organophosphonate derivatives on pirkle type chiral stationary phase by olecular modeling”,Talanta,2004,64,320-325.(SCI)123.張長橋,魏雲鶴,秦敬玉,劉成卜*,“熱浸鍍過程上浮熔渣形核期原子團簇研究”,中國科學,B輯,2004,34,329-333.(SCI)124.孫友敏,劉成卜*,王若曦,“銅(Ⅱ)氮氧自由基配合物鐵磁耦合機理的理論研究”, 化學學報,2004,62,2303-2307. (SCI)125.Weiren Xu,Jianwu Wang,Chengbu Liu*,Chenglung Chen,“Experimental and Computational Studies of isomerization between Z and E isomers of Bezaldoximes”,J. Chin. Chem. Soc.,2004,51,12611266.(SCI)126.Fancui Meng,Huanjie Wang,Weiren Xu,Chengbu Liu*,“Theoretical Study of GC+/GC base derivatives”,Chem. Phys.,2005,308,117-123.(SCI)127.Wei Yunhe,Zhang Changqiao,Qin Jingyu,Liu Chengbu*,“Study on the cluster of floating dross before nucleating during hot-dipping process”,Science in China,Ser.B Chemistry,2005,48,83-88.(SCI) 128.Youmin Sun,Chengbu Liu*,Zhongnan,Qi,Dongju Zhang,“Theoretical study on magneto-structual correlation in trinuclear copper(Ⅱ) complexes with oxamato bridge”,J. mol. Struct. : THEOCHEM,2005,718,49-53. (SCI)129.孫友敏,王若曦,劉成卜*,“氫鍵橋聯雙合銅配合物磁耦合的密度泛函研究”,高等學校化學學報,2005,26,294-298.(SCI)130.張月梅,王若曦,徐為人,劉成卜*,“氧化腈與丙炔1,3-偶極環加成反應中區域選擇性的理論研究”,化學學報,2005,63,567-571.(SCI)131.楊春傑,陳曉,趙繼寬,劉成卜,“銀納米粒子表面油酸鹽吸附的分子模擬”,化學學報,2005,63,769-773.(SCI)132.Ruoxi Wang,Dongju Zhang,Chengbu Liu*,“Theoretical study of silicon-oxygen-sulfur oligomers(SiOS)n(n=1-6)”,Chem. Phys. Lett.,2005,404,237-243. (SCI)133.Gao Jun,Zou Wenli,Liu Wenjian,Xiao Yunlong,peng Daoling,Song Bo,Liu Chengbu,“Time-dependent four-component relativistic density-functional theory for excitation energies.Ⅱ. The exchange- correlation kernel”,J. Chem. Phys. 2005,123,054102-1-13. (SCI)134.Chengbu Liu,Youmin Sun,Bin Zheng,Ruoxi Wang,“Theoretical study on magneto-structural correlation in axially coordinated complexes of copper(Ⅱ) with nitronyl nitroxide radical”,Chem. Phys. Letters,2005,411,416-422. (SCI)135. Ruoxi Wang,Dongju Zhang,Chengbu Liu*,“Theoretical prediction of a novel inorganic fullerene-like family of silicon-carbon materials”,Chem. Phys. lett.,2005,411,333-338.(SCI)136.Qi Zhongnan,Zhang Chanqiao,Wang Ruoxi,Liu Chengbu*,Chen Zhenglong,“Investigation of Microstructures and Anti-corrosion Properties of Alumonoim-Zinc Alloys”,Chin. J. Chem.,2005,23,1182-1186. (SCI)
科研項目
目前在研的科研項目:1 國家自然科學基金重點項目:核酸電荷傳遞超快過程的微觀機理研究,42萬元,項目編號:201330202 國家自然科學基金項目:三核及簡單一維鏈體系磁相互作用的理論研究,22萬元,批准號:20373033。3 國家科委國家重點基礎研究發展計畫(973計畫)項目。項目名稱:生命體系識別和調控過程中重要化學問題的基礎研究。課題名稱:組合QM/MM計算方法及其在生物酶中的套用。50萬元,課題編號:2004CB719902.4 中國石油天然氣(集團)總公司:非晶態超高分子聚合物工程熱力學參數理論計算及物系分子力學模擬,30萬元,項目編號:20021030A。5 中國石油天然氣(集團)總公司:高性能減阻聚合物的分子設計研究,49萬元,批准號:20041011A。科研成果 1 1991年,國家教委和國務院學位委員會授予“做出突出貢獻的中國博士學位獲得者”榮譽稱號。2 1986年,國家教委科技進步二等獎,獲獎項目:量子化學基礎理論研究。3 1991年,國家教委科技進步二等獎,獲獎項目:量子化學和分子反應動力學的理論及套用。4 1996年,中國人民解放軍科技進步二等獎,獲獎項目:廣義雙自由基氮烯、硼烯結構和反應性能的量子化學研究。5 1997年,山東省科學進步三等獎,獲獎項目:荷移動力學機制的相關性質研究。6 1989年,山東省教委科技進步二等獎,獲獎項目:卡賓等分子電子結構的研究。7 1990年,山東省教委科技進步二等獎,獲獎項目:原子分子量子散射的理論研究及量子化學的某些套用。8 2002年,山東省教育廳,山東高等學校優秀科研成果一等獎。獲獎項目:多金屬體系磁耦合行為的理論研究。9 2002年,山東省教育廳,山東高等學校優秀科研成果二等獎,。獲獎項目:第Ⅳ主族元素飽和烯類化合物環加成反應的理論研究10 1996年,山東大學優秀科技成果一等獎,獲獎項目:氮烯類化合物結構和反應性能理論研究。