基本简介
江元生（1931.08.18- 2014.01.10 ），物理化学家，南京大学化学化工学院教授,博士生导师。1991年当选为中国科学院学部委员（院士）。60年代发表交联高分子凝胶量公式，用于凝胶量表征高分子交联度。70年代，在配位场理论的研究中，处理了点群耦合系数中的一些待解决的问题，使之成为完整系统。对分子轨道图形理论及应用的研究成果有：将休克尔理论发展成“三条定理”的形式；提出图形收缩方法，就分子图不变量的计算、约化及相互关系，给出大量原始结果；建议的五参数公式，对芳香性理论有所发展。在原子簇与固体研究中，从理论上解释了三核钼簇畸变的现象。为《配位场理论方法》和《分子轨形理论》两本理论化学专著的主要撰写者之一。
出版著作
1. Tang Au-chin,Sun Chia-chung,Kiang Yuan-sun,Deng Zung- hau, Liu Jo-chung,Chang Chain-er,Yan Guo- sen, Goo Zien and Tai Shu- san, 《Theoretical method of the ligand field theory》, Science Press, Beijing, 1979.
2. Tang Au-chin,Kiang Yuan-sun,Yan Guo-sen and Tai Shu- san, 《Graph theoretical molecular orbitals》, Science Press, Beijing, 1986.
3. 江元生 《结构化学》 高等教育出版社，北京，1997；五南图书出版公司，台北，1999
4.Valence Bond Calculations and Their Applications to Medium-sized Hydrocarbons, (In Valence Bond Theory，Ed. By D. L. Cooper), Yuansheng Jiang, Shuhua Li, Elsevier, 2002
5.Molecular Structural Theory, Yuansheng Jiang, Higher Education Press, 1999
6.Structural Chemistry, Jiang Yuansheng, Wunan Book Publishing Co.,Ltd, Teipei,1999
7.Structural Chemistry, Jiang Yuansheng, Higher Education Press, Beijing, 1997
8.Graph Theoretical Molecular Orbitals, Auchin Tang, Yuansun Kiang, Guosen Yan, Shusan Tai, Science Press, 1986
9.分子轨道图形理论, 唐敖庆、江元生、鄢国森、戴树珊，科学出版社，1980
10.Theoretical Method of the Ligand Field Theory, Tang Au-chin, Sun Chia-chung, Kiang Yuan-sun, Deng Zung-hau, Liu Jo-chung, Chang Chain-er, Yan Guo-sen, Goo Zien and Tai Shu-san, Science Press, Beijing, 1979.
发表论文
u1. Tang Au-chin and Kiang Yuan-sun, Acta Scientiarium Naturalium Northeast People‘s University, 280(1955,1)：Two center expansion formulas of l/r12, in elliptic coordinates(in Chinese).
2. Tang Au-chin and Kiang Yuan-sun, Acta Chimica Sinica, 22, 286(1956): A mathematical analysis of the kinetics of polycondensation-depolycondensation reactions (in Chinese).
3. Tang Au-chin and Kiang Yuansun, Science Record, 2, 110(1958)：The problem of gelations of three dimensional polycondensation reactions.
4. Tang An-chin and Kiang Yuan-sun, Science Record, 3, 448(1959), English version 3,557(1959): Physical properties and molecular size distribution of cross-linked long-chain polymers III. A statistical theory of irradiated long-chain polymers.
5. Kiang Yuan-sun, Polymer Communications, 1, 316(1959): On the problem of solubility of cross-linked long-chain polymers (in Chinese).
6. Chien Pao-kung, Jiang Bin-zen, Kiang Yuan-sun and Tang Au-chin, Symposium on polymer chemistry organized by Chinese Academy of Sciences, Scientific Press, 27(196l):The solid state reactions in high polymeric systems (in Chinese).
7. Kiang Yuan-sun, Acta Scientiarium Naturalium Universitatis Jilinensic, 136(1962, l): On the problem of molecular size distribution in relationship with sol-gel transformation of cross-linked high polymers (in Chinese).
8. Tang Au-chin and Kiang Yuan-sun, Scientia Sinica, 12, 997(1963): On the problem of sol-gel distribution of the cross-linked long-chain polymers.
9. Tang Au-chin, Kiang Yuan-sun and Wang Ming-jun, Polymer Communications 5,35(1963). Theory of gelation of high polymers (in Chinese).
10. Tang Au-chin, Sun Chia-chung and Kiang Yuaii-sun et al, Acta Scientiariurn: Naturalium Universitatis Jilinensic, 77(1964,3):. Studies on the ligand field theory I. dn configurations in octahedral field (in Chinese).
11. Tang Au-chin, Sun Chia-chung and Kiang Yuan-sun et al, Acta Scientiarium Naturalium Universitatis Jilinensic, 60(1965, l):. Studies on the ligand field theory II. Transformation between strong-field and weak-field coupling schemes (in Chinese).
12. Tang An-chin, Sun Chia-chung and Kiang Yuan-sun et al, Acta Scientiarium Naturalium Universitatis Jilinensic, 71(1965,4): Studies on the ligand field theory III. Analysis of energy spectrum of d4 and d6 configurations in octahedral field (in Chinese).
13. Tang Au-chin, Sun Chia-chung and Kiang Yuan-sun et al, Scientia Sinica, 15, 610(1966): Studies on the ligand field theory - An improved weak field scheme.
14. Tang Au-chin and Kiang Yuan-sun, Acta Scientiarium Naturalium Universitatis Jilinensic,77(1973, 1) . On Chemical bonding in di-nitrogen complexes (in Chinese).
15. Kiang Yuan-sun et al, Kexue Tongbao 19, 49(1974) : Vibrational frequencies and stabilities of di-nitrogen complexes (in Chinese).
16. Tang Au-chin and Kiang Yuansun, Scientia Sinica 128(1974,l); English version
17,194(1974):. On the theory of chemical bond in di-nitrogen complexes. 17. Tang Au-chin and Kiang Yuansun, Scientia Sinica, 49(1976,1); English version 19,208(1976) . Graph theory of molecular orbitals.
18. Tang Au-chin and Kiang Yuan-sun, Scientia Sinica, 218(1977,3); English version 20,595(1977) . Graph Theory of molecular orbitals II - Symmetrical analysis and calculation of MO coefficients.
19. Tang Au-chin and Kiang Yuan-sun, Kexue Tongbao, 22, 494(1977): Graph theory of the eigenvalue problem (in Chinese).
20. Tang Auchin and Kiang Yuansun, Huaxue Tongbao, 29(1977,l) . Graph theory of molecular orbitals (in Chinese),
21. Tang Au-chin and Kiang Yuan-sun, Huaxue Tongbao, 40(1977,4):New Developments of the conservation of molecular orbital symmetry (in Chinese) .
22. Tang Au-chin and Kiang Yuan-sun, Acta Scientiarium Naturalium Universitatis Jilinensic,43(1978) . Graph theory of the eigenvalue problem (in Chinese).
23. Xiang Yuan-sun, Acta Scietiarium Naturalium Unversitatis Jilinensic, 72(1978): On the problem of stabilities of conjugated hydrocarbons (in Chinese).
24. Jiang Yuansheng. Scientia Sinica, 325(1980,4); English version 23, 847(1980):. Graph theory of molecular orbitals calculation of aN - The determinant of adjacency matrix and the stability of molecules.
25. Kjang Yuan-sun, Int. J. Quantum Chem. 18, 331(1980) . A calculation of the determinant of adjacency matrix and the stability of conjugated molecules.
26. Yuan-sun Kiang, Int. J Quantum Chem. 514, 541(1980): Determinant of adjacency matrix and Kekulé structures.
27. Yuan-sun Kiang, Int. J Quantum Chem. S15, 293(1981):. Partition technique and molecular graph theory.
28. Tang Ao-qing, Yang Zhong-zhi and Jiang Yuan-sheng, Acta Chimica Sinica, 39,97(1981). Hückel spectrum of conjugated long-chain molecules (in Chinese).
29. Yang Zhong-zhi, Zhu Yu-kui, Kiang Yuan-sun and Tang Au-chin, Kexue Tongbao, 26,916(1981) . Quantum theory of thermal stability of conjugated polymers (in Chinese).
30. Yan Deyue, Li Guoying and Kiang Yuansheng, Scietia Sinica, 39(1981,1); English version 24, 46(1981): Graphical method in kinetics of polymerization.
31. Hu Youliang and Kiang Yuan-sun, J Mol Sci. 7(1981,2) : A criterion of reactivity for non-alternative hydrocarbons (in Chinese).
32. Yu Weizhou, Liu Yongzhen, Fang Guochen and Jiang Yuansheng, Kexue Tongbao, 26,1472(1981),English version 27, 801(1982): SCF-SW-Xαcalculation on polyatomic molecules.
33. Jiang Yuansheng, Scientia Sinica, B 289(1982,4); English version 25, 681(1982):.Graphical-deleting method for computing characteristic polynomial of a graph.
34. Yu Weizhou, Liu Yongzhen, Zhang Mingyu, Feng Guochen and Jiang Yuansheng, Chem. J. Chin. Univ.,3, 516(1982) . Xα calculations on MnO4- and CH4 (in Chinese).
35. Cao Wei-liang and Jiang Yuan-sheng, Acta Chimica Sinica, 40, 871(1982) On the stability of conjugated hydrocarbons (in Chinese).
36. Mo Feng-kui, Wang Zhi-zhong and Jiang Yuan-sheng, Acta Chimica Sinica, 41,302(1983), English version 106 (1983,2) : CNDO/2 calculation on gas phase basicity of amines, alcohols, and ethers.
37. Wang Zhi-zhong, Shen Er-zhong, Guo Chun-xiao and Kiang Yuan-sun, JMol.Sci. 1,105(1983) : CNDO calculation of transitional metal compounds - The electronic structures of M(CO)6n- and M(N2)n-.
38. Yang Jia-an and Jiang Yuan-sheng, Acta Chimica Sinica, 41, 884(1983) : The graphic character and thermodynamic properties of aliphatic alkanes fin Chinese).
39. Yuan-sun Kiang and Er-ting Chen, Pure & Appl.Chem 55, 283(1983)： Evaluation of HOMO-LUMO separation and homologous linearity of conjugated molecules.
40. Jiang Yuansheng, Scientia Sinica B 972(1983,11), English version 27, 236(1984): Problem on isospectal molecules.
41. Zhang Mingyu, Yu Weizhou, Jiang Yuansheng and Tang Aoqing, Scientia Sinica B 202(1984,3); English version 27, 770(1984): An SCF-Xα SW study of BH4-, CH4, NH4+,AlH4-, SiH4, PH4+ and GeH4.
42. Ding dezeng, Zhang Mingyu, Yu Weizhou, Jiang Yuansheng and Tang Aoqing, J Mol.Sci., 155(1984,2) : The ionization energies and photoelectron spectra of tetrahedrane,tetramethyl tetrahedrane studies by Xα method(in Chinese).
43. Jiang Yuansheng and Chen Erting, Scientia Sinica B 971(1984,11) : Calculation of frontier levels in Hückel molecular orbital theory (in Chinese) .
44. Shen Erzhong, Wang Zhizhong and Jiang Yuansheng, J.Mol. Sci. 427(1984,4) : A program plotting molecular wave function (in Chinese).
45. Yuansheng Jiang, Aoqing Tang and Roald Hoffmann, Theoret. Chim. Acta, 66,183(1984): Evaluation of moments and their application in Hückel molecular orbital theory.
46. Yuansheng Jiang, Aoqing Tang, Roald Hoffmann, Jinling Huang and Jiaxi Lu,Organmetallics. 4, 27(1985) . Trinuclear clusters of early transition metals – Jahn-Teller distortions and electronic structure.
47. Yuansheng Jiang, Santiago Alvarez and Roald Hoffmann, Inorg. Chem. 24, 749(1985): Binuclear and polymeric gold (I) complexes.
48. Kuo-chen Chou and Yuan-sun Kiang, Biophys. Chem. 22, 219(1985) : The biological functions of low-frequency vibrations (phonons) 5. A phenomenologi- cal theory.
49. Huang Jinling, Lu Jiaxi, Jiang Yuansheng and Roald Hoffmann, Scientia Sinica B 695(1986,7), English version 28, 1085(1985):A possible mechanism of formation of polynuclear molybdenum clusters.
50. Lü Tianxiong, Jiang Yuansheng and Tang Aoqing, Acta Physico-Chimica Sinica, 1,556(1985) : The eigenvalue problem of Hückel matrix including next nearest interaction (in Chinese).
51. Yuan-sun Kiang and Au-chin Tang, Int. J. Quantum Chem. 29, 229(1986) : A graphical evaluation of characteristic polynomials of Hückel trees.
52. Ren Tong, Zhang Mingyu, Yu Weizhou, Jiang Yuansheng and Tang Aoqing, Acta Chimica Sinica 44,1211(1986):Structure rule on boron hybrides calculated by Xαmethod (in Chinese).
53. Jiang Yuan-sheng, Li Xiao-tian, Zhang Ming-yu and Yu Wei-zhou, Acta Chimica Sinica 45, 107(1987) ; English version 345(1987,4) . Ab initio calculations on Fe2S2Cl42-.
54. Qin Dujie and Jiang Yuansheng, Acta Chimica Sinica 45, 113(1987), English version 40(1987, l) . Stabilities of polyhedral boron subhalides.
55. Cui Changxing and Jiang Yuansheng, Kexue Tongbao, 32, 509(1987); English version 33,1948(1988) : The cluster model for selenium spiral chain.
56. Yu Wei-zhou, Li Xiao-tian. Zhang Ming-yu and Jiang Yuan-sheng, Acta Chimica Sinica 45, 724(1987), English version, 362(1987,4) : Ab initio calculation on Fe2S2(SH)42-,3-.
57. Cui Changxing, Li Xiaotian and Jiang Yuansheng, Acta Chimica Sinica 46, 836(1987): A study on energy spectrum and energy band of [CuCo(CO)4]n. (in Chinese).
58. Cui Changxing and Jiang Yuansheng, Acta Physico-Chimica Sinica 3, 581(1987): An extended Hückel study on the electronic structure of trigonal selenium (in Chinese).
59. Jiang Yuansheng and Zhang Hongxing, Scientia Sinica B 122(1988,2): Partition of Hückel energies and applications I. (in Chinese)
60. Zhang Hongxing and Jiang Yuansheng, Scientia Sinica B 580(1988,6): Partition of Hückel energies and applications II. (in Chinese)
61. Shen Erzhong, Wang Zhizhong and Jiang Yuansheng, Chem. J. Chin. Univ.,9,298 (1988): A program plotting molecular orbitals for ab initio calculations(in Chinese).
62. Han Caoyao, Jiang Yuansheng, Shen Erzhong, Yu Weizhou and Zhang Mingyu, Kexue Tongbao 33, 1475(1988) . Redberg energy levels and orbitals of benzen (in Chinese).
63. Lü Tianxiong and Jiang Yuansheng, Acta Physico-Chimica 4, 393(1988). Hückel bands for tetragonal clusters and lattices (in Chinese).
64. Min Xinmin and Jiang Yuansheng, Acta Chimica Sinica 46, 868(1988):A MS Xα study of mono-substituted benzenes (in Chinese).
65. Lü Tian-xiong and Jiang Yuan-sheng, Acta Chimica Sinica 46, 623(1988). From dimer to polymer I. A qualitative approach to interpret and to construct the energy bands of one-dimensional systems (in Chinese).
66. Lü Tian-xiong and Jiang Yuan-sheng, Acta Chimica Sinica, 47, 1152(1989):From dimer to polymer II. System possessing twofold screw axis or glide plane (in Chinese).
67. Tang Aoqing and Jiang Yuansheng, Physics 18, 475(1989) . Graph-theoretical molecular orbital theory and its applications (in Chinese).
68. Jiang Yuansheng, Huaxue Tongbao 4(1989,4) . New developments of graph-theoretical molecular orbital theory (in Chinese).
69. Y.Jiang and H.Zhang, Theoret.Chim.Acta 75, 279(1989):Stabilitiy and reactivities based on moment analysis.
70. Y.Jiang, H.Zhu, H.Zhang and I.Gutman, Chem.Phys.Lett 159, 159(1989): Moment expansion of Hückel molecular energies.
71. Y.Jiang and H.Zhang, J.Math.Chem. 3, 357(1989) : Moments and characteristic polynomials of bipartite Hückel graphs.
72. Y.Jiang and G.Y.Chen, Studies in physical and theoretical chemistry, 63, 107(1989):.Generation and enumeration of concealed nonkekuléan benzenoid hydrocarbons.
73. Jiang Yuan-sheng, Yu Wei-zhou, Zhang Ming-yu and Li Xiaotian, Acta Chimica Sinica 193(1989,3):Ab initio calculations on icosahedral molecules I.The implementation of symmetry reduction in calculation exemplified by B12H122-.
74. Gutman Ivan, Jiang Yuansheng and Zhang Hongxing, Acta Chimica Sinica 324(1989,4):Two topological approaches to resonance energy and the relation between them.
75. Yuansheng Jiang and Hongxing Zhang, Pure & Appl.Chem. 62, 451(1990): Aromaticities and reactivities based on energy partitioning.
76. Y.-S.Jiang and G.-Y.Chen, Theor. Chim.Acta 76, 437(1990): On Subspectral problem-Benzenoid hydrocarbons with common eigenvalues ?l .
77. Yuansheng Jiang and Guangyao Chen, J.Math.Chem. 4, 103(1990):On subspectral acyclic molecular graph.
78. C.X.Cui. M.Kertesz and Y. Jiang, J. Phys. Chem. 94, 5172(1990) . Extraction of polymer properties from oligomer calculations.
79. Liang Chengzhi and Jiang Yuansheng, Acta Physico-Chimica Sinica, 6, 8(1990).Coloration and enumeration of stereoisomers (in Chinese).
80. Jiang Yuanshcng and Yu Weizhou, Chem.J.Chin.Univ., special issue, 153(1990): On subspectral problem-benzenoid hydrocarbons with common eigenvalue ?√2
81. Jiang Yuansheng and Yu weizhou, Chin.J.Chem.Phys. 3, 389(1990):Acyclic molecules subspectral to butadiene (in Chinese).
82. Min Xinmin, Shen Erzhong, Jiang Yuansheng and You Xiaozheng, Acta Chimica Sinica 48, 973(1990) . SCF-X?-SW calculations on Lanthanide trifluorides (in Chinese).
83. Zhang Mingyu, Yu Weizhou, Li Xiaotian and Jiang Yuansheng, Acta Chimica Sinica 49, 105(1991) : Ab initio study on icosahedral molecules II - The electronic structure of Cu13, (in Chinese).
84. Yuansheng Jiang, Weizhou Yu and Edward C. Kirby, J Chem. Soc. Faraday Trans. 87,363 1 (1991) : Benzenoid hydrocarbons having eigenvalues of ?√2
85. Zhuhong Yao, Peng Xiaobing and Yuansheng Jiang, Kexue Tongbao, 605(1992,7):Expansion of |x| in terms of orthogonal polynomials and analytical approximation to the total π-electron energy (in Chinese).
86. Sun Yueming, Zhu Longgen, You Xiaozeng and Jiang Yuansheng, Acta Chimica Sinica 50, 216(1992) : Theoretical study on the energy band structure of one dimensional phthalo-cyanine compounds (in Chinese).
87. Sun Yue-ming, Zhu Long-gen, You Xiao-zeng and Jiang Yuansheng, Theoret. Chim.Acta 82, 213(1992) : Theoretical calculations of 85Mo-NMR chemical shifts for compounds [MoO4-nSn]2-.
88. Haoyao Zhu and Yuansheng Jiang, Chem.Phys.Lett. 193, 446(1992) . Clar‘s structures of benzenoid hydrocarbons and six-electron spin correlation ordering in hexagons.
89. Zhu Hongyao and Jiang Yuansheng, Acta Chimica Sinica 50, 772(1992:Localized structure of benzenoid hydrocarbons based on spin-spin correlation analysis (in Clunese).
90. Zhang Mingyu, Li Xiaotian and Jiang Yuansheng, J.Mol.Sci. 8, 24(1992):An ab initio on B12H122- - the influence of basis sets.
91. Zhang Mingyu, Li Xiaotian and Jiang Yuansheng, Chin.Sci.Bull. 37, 1623(1992): MCSCF and CI study on transition metal dimer Cr2.
92. Zhang Mingyu, Yu Weizhou, Li Xiaotian and Jiang Yuansheng, Scientia Sinica B 1016(1992, 10) : Ab initio calculations on Fe2S2(SH)4 and Fe4S4(SH)4 (in Chinese).
93. Chengzhi Liang and Yuansheng Jiang, J.Theor.Biol 158, 231(1992). The chirality of ground DNA knots and links.
94. Wang Huayun and Jiang Yuansheng, Acta Chimica Sinica, 51, 224(1993):Graph theoretical analysis of general regulations in octane numbers of alkanes (in Chinese).
95. Zhu Hongyao and Jiang Yuansheng, Acta Physico-Chimica Sinica 9, 473(1993): Cluster Bethe-lattice model for infinite lattice systems (in Chinese).
96. Zhu Hongyao and Jiang Yuansheng, Acta Chimica Sinica 51, 527(1993): On Hückel-Hubbard correlation diagrams fin Chinese).
97. J.Liu, Y.H.Shao and Y.S.Jiang, Chem.Phys.Lett. 210, 149(1993): Exact solution of graph spectrum of C60.
98. Yuansheng Jiang, Hongyao Zhu and Guoxiong Wang, J. Mol.Struct. 297, 327(1993): Spin-correlation ordering and their application in benzenoid hydrocarbons.
99. Zhang Yingkai, Wang Guoxiong and Jiang Yuansheng, J. Nanging Univ. (Natural Sciences Ed.) 29, 400(1993): Faraday effect and its application in Chemistry (in Chinese).
100 Yuansheng Jiang and Hongyao Zhu, J Chem. Inf Comput. Sci. 34, 377(1994): Evaluation of level pattern indices.
101 Jun Liu and Yuansheng Jiang, J. Chem. Inf Comput. Sci. 34, 1267(1994): New method for constructing isospectral graphs.
102 Liu Jun and Jiang Yuansheng, Kexue Tongbao, 39, 1485(1994): Hybridized orbitals in C60 and C70 (in Chinese).
103 Jiang Yuansheng, Xu Jiangnong and Zhu Hongyao,Acta Chimica Sinica, 52,625(1994):A pictorial evaluation of bonding and antibonding molecular orbitals (in Chinese)
104 Jiang Yuansheng,Yihan Shao and Edward C Kirby, Fullerene Sci.& Techn.2,481(1994): Topology and stability of trivalent polyhedral clusters.
105 C.G.Liu, Y.H.Shao and Y.S.Jiang, Chem.Phys.Lett., 228,131(1994):Analytical solution of graph spectra for fullerences.
106 C.G.Liu, M.M.Wang, Y.H.Shao and Y.S.Jiang, Phys. Lett. A,196,120(1994): Factorization of the Hückel Hamiltonian matrix for C540.
107 Liu J and Jiang Y S,Chem.Phys.Lett.235,576(1995):Degeneracy of C60 molecular graph.
108 Liu J and Jiang Y S,Chin.Sci.Bull.40,33(1995):Hybrid bond orbitals in C60 and C70.
109 Li S H and Jiang Y S, J. Am. Chem. Soc.117,8401(1995):Bond lengths, reactivities, and aromaticities of benzenoid hydrocarbons based on the valence bond calculations.
110 Li S H and Jiang Y S, Chem. Phys. Lett.241,57(1995):The Hubbard transition in molecular systems.
111 Li S H, Ma J and Jiang Y S, Chem. Phys. Lett. 246, 221(1995): Topological dependence of ferromagnetic coupling strength in some π-conjugated radicals.
112 Xu J N and Jiang Y S, J. Chem. Inf. Comput. Sci., 35, 214(1995): Topological stabilization of fullerences.
113 Jiang Y S and Liang C Z, Croat. Chem. Acta 68(2),343 (1995): On endospectral bipartite graphs.
114 Jiang Y S, Qian X L and Shao Y H,Theor. Chim. Acta 90,135(1995):The evaluation of moments for benzenoid hydrocarbons.
115 Jiang Y S, Liu C G and Shao Y H, Progress in Physics 15(3),309(1995): Analytical solution of graph spectrum for fullerenes (in Chinese).
116 Shao Y H and Jiang Y S, Chem. Phys. Lett. 242,191(1995): Symmetry of hydrogenated C60.
117 Chungen Liu,Yihan Shao and Yuanshang Jiang,Croat.Chim.Acta 69, 201(1996): Factorization of the Hückel Hamiltonian matrix for highly symmetrical molecules.
118 Yihan Shao,Jian Wu and Yuangsheng Jiang,Chem.Phys.Lett.248,366(1996): Isomer counting and isomer permutation representation.
119 Yihan Shao and Yuansheng Jiang,J.Phys.Chem.100,1554(1996):Enumeration of B24-mNmcages
120 Shuhua Li, Jing Ma and Yuansheng Jiang, J. Phys. Chem.100,4775(1996):Is ferromagnetic spin coupling constant within homologous di-and tridicals?
121 Yihan Shao, Jian Wu and Yuansheng Jiang, J. Phys. Chem.100,15064(1996): Enumeration and symmetry of substitution isomers.
122 Jin Ma, Shuhua Li and Yuansheng Jiang, J. Phys. Chem.100,15068(1996):The effective valence bond model study on conjugated hydrocarbons containing four-membered rings.
123 Jing Ma, Shuhua Li and Yuansheng Jiang, J. Phys. Chem. A 101,4770(1997):Canthe low-lying electronic states of benzenoid hydrocarbons be described by the semiempirical valence bond approach?
124 Shuhua Li, Jing Ma and Yuansheng Jiang, J. Phys. Chem. A 101,5567(1997): Strength of spin coupling in high-spin organic molecules.
125 Shuhua Li, Jing Ma and Yuansheng Jiang, J. Phys. Chem. A 101,5587(1997): Electron correlation and magnetism:A simple molecular orbital approach for predicting ground-state spins of conjugated hydrocarbons.
126 Yinghong Sheng and Yuansheng Jiang, J. Chem. Soc., Faraday Trans. 94(13),1823 (1998):AM1/CI study of the first-order hyperpolarizability for push-pull quinones and push-pull polyenes.
127 Yinghong Sheng and Yuansheng Jiang, J. Chem. Soc., Faraday Trans. 94(13), 1829(1998): Polarizability and hyperpolarizability of push-pull quinoid molecules Simulation of donor-acceptor pairs.
128 Yinghong Sheng and Yuansheng Jiang, Xiao-Chuan Wang, J. Chem. Soc., Faraday Trans. 94(1),47(1998): AM1 study of the relationship between the donor-acceptor strength and the polarizability push-pull polyenes.
129 Weihua Zhu and Yuansheng Jiang, Phys. Chem. Chem. Phys. 2,47(2000):Molecular structures and non-linear optical properties of donor-acceptor quinoid-type molecules
130 Weihua Zhu and Yuansheng Jiang, Phys. Chem. Chem. Phys. 1,4169(1999): Theoretical study of the relationships between the molecular structures and the molecular polarizabililties of the donor-acceptor cumulenes and a comparison with the corresponding polyenes
131 Weihua Zhu and Yuansheng Jiang, J. Mol. Struct.(THEOCHEM) 496,67(2000): An investigation of the relationships between the bridge atomic charge sumand the molecular polarizabilities of push-pull polyenes.
132 Jian Wu and Yuansheng Jiang, Chem. Phys. Lett,311,315(1999):Optimization of basis sets in valence bond calculations
133 Shuhua Li,Jing Ma and Yuansheng Jiang, Int. J. Quantum. Chem. 78,153(2000): Pair-Correlated Configuration Interaction Method and Its Approximate Version for Solving the Electron Correlation Problem in Molecules.
134 Jian Wu and Yuansheng Jiang, J. Comput. Chem. 21,856(2000):The valence bond calculations for conjugated hydrocarbons having 24-28π-electrons
135 Mingli Yang and Yuansheng Jiang, Phys.Chem.Chem.Phys.3,167(2001):A theoretical study of second hyperpolarizabilities for donor-acceptor-donor molecules.
136 Mingli Yang and Yuansheng Jiang, PHYS CHEM CHEM PHYS 3 (19): 4213-4217 (2001): Molecular design for squaraines with large positive or negative third-order optical nonlinearity
137 Zhao-Xu Chen, Chungen Liu, Yi Chen, and Yuan-Sheng Jiang, CHEM PHYS 270 (2): 253-261 (2001): Theoretical investigation on BaTiO3 with periodic density functional theory BLYP method
138 Mingli Yang and Yuansheng Jiang, CHEM PHYS 274 (2-3): 121-130 (2001): Structure-property correlation in static electronic second-order hyperpolarizabilities of centrosymmetric squaraines
139 Zhao-Xu Chen, Yi Chen, and Yuan-Sheng Jiang, J. Phys.Chem. B ,105,5766(2001):DFT Study on Ferroelectricity of BaTiO3.
140 Mingli Yang, Shuhua Li ,Jing Ma, Yuansheng Jiang, Chem. Phys. Lett. 354,316(2002):An MP2 study of linear polarizabilities and second-order hyperpolarizabilities for centrosymmetric squaraines.
141 SHUHUA LI ,JING MA,YUANSHENG JIANG, J. Comput. Chem. 23, 237(2002):Linear Scaling Local Correlation Approach for Solving the Coupled Cluster Equations of Large Systems.
142 Yi Gao ,Chun-Gen Liu and Yuan-sheng Jiang, J. Phys. Chem. A. 106, 2592(2002):The Valence Bond Study for Benzenoid Hydrocarbons of Medium to Infinite Sizes.
143 Y. Jiang and S. Li,D. L. Cooper, Editor, ELSEVIER 2002: Chapter 18, Valence Bond Calculations and Their Applications to Mediun-sized Conjugated Hydrocarbons.
144 Jing Ma, Shuhua Li, and Yuansheng Jiang, Macromolecules 35, 1109(2002): A Time-Dependent DET Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polyphosphole, and Polythiophene.
145 Weihua Zhu, Guoshi Wu, Yuansheng Jiang, INT J QUANTUM CHEM 86 (4): 390-400 (2002): Substitution effects on the molecular structures and the longitudinal molecular polarizabilities of all-trans polyacetylene oligomers of increasing size.
146 Weihua Zhu, Guoshi Wu, Yuansheng Jiang, INT J QUANTUM CHEM 86 (4): 347-355 (2002): Incorporation of solvent effects into density functional predictions of molecular polarizabilities and hyperpolarizabilities.
147 Yi Gao ,Chun-Gen Liu and Yuan-sheng Jiang, J PHYS CHEM A 106 (21): 5380-5384 (2002):Electronic structure of thiophene oligomer dications: An alternative interpretation from the spin-unrestricted DFT study.
148 Yuan SL, Cai ZT, Xu GY, Jiang YS, COLLOID POLYM SCI 280 (7): 630-636 (2002): Quantitative structure-property relationships of surfactants: prediction of the critical micelle concentration of nonionic surfactants.
149 Chen ZX, Chen Y, Jiang YS, J PHYS CHEM B 106 (39): 9986-9992 (2002): Comparative study of ABO(3) perovskite compounds. 1. ATiO(3) (A = Ca, Sr, Ba, and Pb) perovskites.
150 Li SH, Ma J, Jiang YS, CHINESE J CHEM 20 (11): 1168-1179 (2002): Kekule-based valence bond model. I. The ground-state properties of conjugated pi-systems.
151 Ma J, Li SH, Jiang YS, CHINESE J CHEM 20 (11): 1180-1191 (2002): Kekule-based valence bond model. II. Diels-Alder reactivity of polycyclic aromatic hydrocarbons.
152 Yuan SL, Cai ZT, Jiang YS, NEW J CHEM 27 (3): 626-633 (2003): Molecular simulation study of alkyl monolayers on the Si(111) surface.
153 Gao Y, Liu CG, Jiang YS, SCI CHINA SER B 46 (1): 7-12 (2003): Photochemical properties of carotenoids: what can we get from the VB model?
154 Li SH, Ma J, Jiang YS, J CHEM PHYS 118 (13): 5736-5745 (2003): Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method.
155 Zhang GL, Ma J, Jiang YS, MACROMOLECULES 36 (6): 2130-2140 (2003): Effects of silole content and doping on the electronic structures and excitation energies of silole/thiophene cooligomers.
156 Zhang GB, Li SH, Jiang YS, TETRAHEDRON 59 (19): 3499-3504(2003): Substituent effect of the spin-coupling constant through m-phenylene in m-xylylene and its derivatives.
157 Chen H, Li SH, Jiang YS, J PHYS CHEM A 107 (23): 4652-4660 (2003): A density functional theory study on the intramolecular proton transfer in the enzyme carbonic anhydrase.
158 Zhang GB, Li SH, Jiang YS, J PHYS CHEM A 107 (29): 5573-5582 (2003): Effects of substitution on the singlet-triplet energy splittings and ground-state multiplicities of m-phenylene-based diradicals: A density functional theory study.
159 Ma J, Li SH, Liu CG, Jiang YS, J CHIN CHEM SOC-TAIP 50 (3B): 717-728 SI (2003): The valence bond calculations on conjugated hydrocarbons of medium to infinite sizes.
160 Pei Y, Ma J, Jiang YS, LANGMUIR 19 (18): 7652-7661 (2003): Formation mechanisms and packing structures of alkoxyl and alkyl monolayers on Si(111): Theoretical studies with quantum chemistry and molecular simulation models.
161 Zhang GB, Li SH, Jiang YS, ORGANOMETALLICS 22 (19): 3820-3830 (2003): Dehydrogenation of methane by gas-phase Os+: A density functional study.
162 Ganbing Zhang, Shuhua Li, Yuansheng Jiang Tetrahedron 2003 , 59(19), 3499-3504. Substituent effect of the spin-coupling constant through m-phenylene in m-xylylene and its derivatives
163 Haibo Ma, Chungen Liu, Yuansheng Jiang, J. Chem. Phys. 120(19): 9316-9320 (2004): “Triplet-excited region“ in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method
164 Ganbing Zhang, Shuhua Li, Yuansheng Jiang, Organometallics，2004，23(15)，3656-3667, Density Functional Study on the Mechanisms of the Reactions of Gas-Phase OsOn+ (n=1-4) with Methane
165 Xin Wang, Shuhua Li, Yuansheng Jiang, Inorg. Chem. 43(20), 6479-6489 2004, Mechanism of H2O2 Dismutation Catalyzed by a New Catalase Mimic (a Non-Heme Dibenzotetraaza[14]annulene-Fe(III) Complex): A Density Functional Theory Investigation
166 Cao H, Ma J, Zhang GL, et al., MACROMOLECULES 38 (4): 1123-1130 FEB 22 2005: Borole/thiophene cooligomers and copolymers with quinoid structures and biradical characters
167 Haibo Ma, Fei Cai, Chungen Liu,* and Yuansheng Jiang*, J. Chem. Phys. 122, 104909 (2005): Spin distribution in neutral polyene radicals: Pariser--Parr--Pople model studied with the density matrix renormalization group method
168 Haibo Ma, Chungen Liu, and Yuansheng Jiang, J. Chem. Phys. 123, 084303 (2005): Theoretical study of the lowest * excitation energies for neutral and doped polyenes
169 Guiling Zhang, Jing Ma and Yuansheng Jiang, J. Phys. Chem. B. ; 2005; 109(28); 13499-13509: Charge-Doped and Heteroatom-Substituted Polysilane, Poly(vinylenedisilanylene), and Poly(butadienylenedisilanylene): Electronic Structures and Band Gaps
170 Yujuan Wang, Jing Ma and Yuansheng Jiang, J. Phys. Chem. A.; 2005; 109(32); 7197-7206: Tuning of Electronic Structures of Poly(p-phenylenevinylene) Analogues of Phenyl, Thienyl, Furyl, and Pyrrolyl by Double-Bond Linkages of Group 14 and 15 Elements
171 Xin Wang, Shuhua Li*, and Yansheng Jiang, J. Phys. Chem. A. 109, 10770-10775 (2005): A Theoretical Study of the Mechanism of Phosphine-Catalyzed Hydroalkoxylation of Methyl Vinyl Ketone
172 Shuhua Li*, Jun Shen, Wei Li, and Yuansheng Jiang, J. Chem. Phys. 125, 074109 (2006): An efficient implementation of the “cluster-in- molecule“ approach for local electron correlation calculations.
173 Nan Jiang, Jing Ma, andYuansheng Jiang, J. Chem. Phys.; 2006, 124, 114112: Electrostatic field-adapted molecular fractionation with conjugated caps for energy calculations of charged biomolecules
174 Haibo Ma, Chungen Liu,* and Yuansheng Jiang*, J. Phys. Chem. B 110, 26488-26496 (2006): Theoretical Investigation of Static Characterization on Nonlinear Elementary Excitations in trans-Polyacetylene
175 Suci Meng, Jing Ma, Yuansheng Jiang, J. Phys. Chem. B 2007, 111, 4128-4136: Solvent Effects on Electronic Structures and Chain Conformations of α-Oligothiophenes in Polar and Apolar Solutions
176 Wei Li, Shuhua Li*, and Yuansheng Jiang, J. Phys. Chem. A 111, 2193-2199 (2007): Generalized Energy-Based Fragmentation Approach for Computing the Ground-State Energies and Properties of Large Molecules
177 Weifeng Hu, Haibo Ma, Chungen Liu,* and Yuansheng Jiang*, J. Chem. Phys. 126, 044903 (2007): Static polarizability and second hyperpolarizability of closed- and open-shell \pi-conjugated polymers
任职情况
南京大学化学系教授
化学学报、有机化学、物理化学学报编委
中国化学会第20、21、22届理事
第23届常务理事兼物理化学专业委员会副主任
曾任南京大学教学委员会主任
《化学学报》、《有机化学》等学术刊物编委，《物理化学学报》副主编
复旦大学、山东大学、中国科技大学、南京理工大学等校兼职教授
荣誉称号
国家级有突出贡献中青年专家 (1984)
中国科学院院士 (1991)
业绩评价
江元生教授长期在高校从事教学和科研工作，在高分子统计理论、配位场理论、分子轨道图形理论等方面取得了一系列开创性成果，先后当选为中国化学会第20、21、22届理事，第23届常务理事兼物理化学专业委员会副主任、计算化学专业委员会委员；曾任南京大学教学委员会主任，《化学学报》编委，《有机化学》编委，《物理化学报》副主编，复旦大学、华东工学院等校兼职教授；1984年应聘为世界理论有机化学家联合会特别理事。同年被授予国家级有突出贡献的中青年专家，1991年当选为中国科学院化学部委员(现称院士)。
江元生早期从事量子化学多中心积分问题的研究，50年代末转入高分子物理化学的研究领域。当时，人们试图利用高能辐射使高分子交联， 生成网状凝胶，由此改变材料性能。英国学者Charlesby把凝胶看成无穷大分子，经过近似推导，得到凝胶量公式，解释实验数据。与此同时，文献上出现了另一种理论公式，它按平衡分配观点计算各种交联分子对凝量的贡献。那么，凝胶的本质究竟是热力学平衡结果还是不溶性网状结构?两者的凝胶点结果显然是不同的。 江元生经过反复推敲，根据凝胶的不熔特性，认定只有是无穷大分子，才不被溶剂分散而溶解。于是他采用无穷大分子模型，经过一年多的努力，推导出严格的凝胶量公式，为表征高聚物的交联程度提供了可靠依据。其论文《交联高聚物的溶胶凝胶分配问题》发表于1963年《中国科学》(英文版)上，迄今，文中基本思想和推演方法仍常被国内外学者所吸收运用。
60年代中期，江元生进行配位场理论研究，取得重大成就。他科学地处理了点群耦合系数与弱场方案中一些有待解决的问题，包括点群直积中不可约表示重复出现及含C类表示的耦合系数计算，V·W及X系数的推广定义和交换对称性等问题，并在点群耦合方案下计算旋轨作用能，使能谱的表征更为标准化，构成完整的配位场理论体系，并参与了专著《配位场理论方法》的撰写。
70年代中期以来，江元生研究分子中的近邻作用及其数学模型，发展图论方法，以寻求和总结化学现象大范围的规律性结果，实现了用图形规则将简单分子轨道理论的基本内容概括为“三条定理”的形式，撰写了专著《分子轨道图形理论》，在国内外产生了深远的影响。在江元生教授指导下参与这一研究的一位博士生，在日本京都基础化学研究所进行科研合作中，运用这一成果，处理了长链聚合分子(如聚乙炔等)的振动谱分类以及掺杂引起的形变中声子—声子相互作用，获得成功，与日方合作者已共同发表论文多篇。1989年，诺贝尔奖获得者福井兼一给江元生教授寄来备忘录，谈及他的研究组在60年代也曾注意到简单分子轨道理论中的图形规则，但未坚持下去。另一国内青年学者在博士论文中用这一成果处理高分子构象问题，得到国内外同行的好评，并获中国化学学会“青年化学奖”。
80年代初，江元生研究图形收缩方法，以图的收缩和扩张模拟同系分子的降解和增长，统一处理各种问题。他就分子图不变量的计算、约化及相互关系，给出了大量的原始结果，受到各国学者的高度评价和广泛引用。他对邻接矩阵行列式的计算方法，被南斯拉夫学者Gutman收入专著。 江元生的构造内同谱图方法，启发了国外学者利用计算机较好地处理了这一问题。江元生对最高占据能级的近似计算，结果非常接近精确值，受到英国著名学者G·G·Hall的赞誉。他的部分同谱论文被德国理论化学杂志评审后，写下了这样的评语：“在许多论文中，这是令人迷恋的一篇。”“这些课题的重要性超过了仅仅希望这些研究将推动化学中重要概念发展的范畴，它还有很强的美学吸引力。终有一天，这些方法可能提供化学新见解的基础。” 在对芳香性理论研究中，江元生等在80年代初提出了五参数的简化方案，以代替传统的八参数方案，并与实验结果符合。美国学者Klein等发表专论， 在标题“江—唐—霍夫曼近似方案”下进行了详尽的评述，称“通过以另外一种方法表示参数能量的分子结构关系，江—唐—霍夫曼得到了一种具有明显优点的展开”。南斯拉夫学者Gutman将这一成果写入他的另一本专著。美国学者Schmalz 将江元生的五参数方案吸收应用于多电子芳香性理论中，加以推广和肯定。
江元生教授也是我国开展量化计算最早的学者之一，在大分子团簇与固体的研究中获得多项有学术价值的成果。他解释了三核钼簇的畸变现象。Colton针对江元生的论文，在《钼与钨》一文中写道：“对三核8 电子钼簇的理论研究已经完成，……这种处理导出了前过渡金属簇中的桥式和帽式配体所起作用的普遍结论”。江元生对卤素硼烷不符合Wade规则的论证，为Wade小组所接受。他用分子观点去研究固体能带，与著名学者Hoffmainn不谋而合，Hoffmainn读过江元生教授的论文后，写信给他称：“英雄所见略同”。江元生教授和他的研究组在国内计算机条件较差的情况下，实现大分子从头计算，80年代完成了Cu13(电子数377) 等的计算，缩短了这一领域的国内外差距。近年来，他和研究组开展价键多体理论研究，完成了含24个π－电子的苯型烟分子的精确计算，达到国际同类研究的最好水平。
江元生教授始终保持着活跃的学术思想，把握学科前沿发展趋势，在国内外学术界颇有影响，已先后发表论著120余篇(部)。 他的“高分子统计理论”、“配位场理论”获两项全国科学大会奖；“配位场理论”1982年获国家自然科学一等奖；“分子轨道图形理论”和“量子化学计算方法”分别获1985、1987年两次获国家教委科技进步二等奖；“分子轨道图形理论方法及应用”于1987年获国家自然科学一等奖。
江元生教授的传记、简历曾为国内外多种版本的名人录收录。设在英国剑桥的国际传记中心(IBC)出版的六种名人录发表了他的简历或传记， 其中“有成就的男士”(Men of Achievement)连续三版收录。 美国传记中心(ABI)的三种名人录刊登过他的简历，其中“国际杰出带头人物录”及“世界五千名人”连续两版约稿，并聘江元生为顾问评委。最近英国国际传记中心又授予他“1993年世界知识分子”的荣誉。
在教学工作中，江元生教授先后为本科生和研究生开设了量子化学、数学物理方法、物理化学、热力学、高等物化、物质结构、高分子物理化学、统计力学、化学图论等多门专业课程，已培养了6名博士和20多名硕士。他编写的教材《结构化学》已于1997年由高教出版社发行，并被确定为“面向21世纪课题教材”。
English
