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研究领域

理论与计算化学,分子反应动力学及稳态分子性质的理论研究

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Feng-Ling Liu*, Fei Yang, Lan-Xiang Zhang. “Computational note on C10N30: Two intact dodecahedral C5N15cages linked by five carbon–carbon single bonds”,J.Mol.Struct.(THEOCHEM.),2010, 950(1-3), 98-99. Hui Zhang, Lan-Xiang Zhang, Fei Yang andFeng-Ling Liu*. “Ramberg– Bäckland reaction of α-chloromethyl methyl sulfone: A DFT study”,J.Mol.Struct.(THEOCHEM.),2010, 950(1-3), 41-45. Xiao-Xia Zhao,Feng-Ling Liu. “Mechanism for the gas-phase hydrogen fluoride-mediated decomposition of peroxyacetyl nitrate (PAN) studied by DFT method”,International Journal of Quantum Chemistry,2010, 110(6): 1214-1223. ZHANG Hui, LI Jie,LIU Feng-Ling*. “DFT Study on a Heterofullerene C58Sn with Odd Number of Atoms”,Chinese J. Struct. Chem.,2009, 28(10): 1296-1303. Feng-Ling Liu*. “Heterofullerenemolecules C58X(X=S,Se,Te):A DFT study”,Chem. Phys.Lett.,2009, 471, 116-121. Shuai Feng, Wen-Zeng Duan, Qing Liu,Feng-Ling Liu*.“Theoretical study on the reaction mechanism of vinyl radical with formyl cyanide”,J.Mol.Struct.(THEOCHEM.),2009, 897(1-3), 1-5. Feng-Ling Liu*, Jie Li, Hui Zhang. “DFT study of a heterofullerene molecule containing fifty-eight carbon atoms and one sulphur atom”,Chem. Phys., 2008, 353(1-3): 19-24. Li, Jie; Ma, Jian-Ping;Liu, Feng-Ling; Wu, Xiang-Wen; Dong, Yu-Bin*; Huang, Ru-Qi . “A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclo pentenedione Compound Synthesis”, ORGANOMETALLICS,2008, 27(21), 5446-5452. Feng-Ling Liu*, Chen-Hui Wang. “DFT study of structural, electronic, vibrational, and magnetic properties of the chirality cage-like molecule C24O12”,Spectrochimica Acta Part A,2008, 70(5): 1141-1145. Feng-Ling Liu*, Abraham F. Jalbout. “Structural, electronic, and magnetic properties of heterofullerene C58Si with odd number of atoms and a near planar tetracoordinate Si atom”,Journal of Molecular Graphics and Modelling,2008, 26 (8): 1327-1332 Feng-Ling Liu*, Chen-Hui Wang. “Structural, electronic, and magnetic properties of two isomers of C40O10with cage-like structure”,Journal of Molecular Graphics and Modelling,2008, 26 (6): 893–899 Feng-Ling Liu*, Chen-Hui Wang. “C114: two intact C60cages share the same hexagon”,J.Mol.Struct.(THEOCHEM.),2007, 819(1-3): 130-135. Shuai Feng, Chuan-Zhi Sun,Feng-Ling Liu*. “Theoretical study on the reaction mechanism of fluorine radical with formyl cyanide”,J.Mol.Struct.(THEOCHEM.),2007, 818(1-3), 101-105. Feng-Ling Liu*. “[5,6]-Heterofullerene-C58Ge-C2: Odd atoms assembling a cage”,Phys. Chem. Chem. Phys.,2007, 9(29), 3872 – 3876. Yu-Bin Dong*, You-Yun Jiang, Jie Li, Jian-Ping Ma,Feng-Ling Liu, Bo Tang, Ru-Qi Huang, and Stuart R. Batten. “Temperature-Dependent Synthesis of Metal-Organic Frameworks Based on a Flexible Tetradentate Ligand with Bidirectional Coordination Donors”,J. Am. Chem. Soc.,2007, 129(15), 4520 - 4521;(Communication) Feng-Ling Liu*, Zhong-Mei Song. “Structural and vibrational frequencies determination of the molecule C18H12O12with double cages sharing the same hexagon of carbon atoms”,J.Mol.Struct.(THEOCHEM.),2007, 804(1-3): 77-80. Feng-Ling Liu*, Xiao-Xia Zhao. “Two intact C60cages linked by six carbon-carbon single bonds”,J.Mol.Struct.(THEOCHEM.),2007, 804(1-3): 117-121. Feng-Ling Liu*, Jie Wang. “The intermolecular potential function of Smith-Thakkar type for C60”,J.Mol.Struct.(THEOCHEM.),2006, 778(1-3): 105-109. Feng-Ling Liu*, Ai-Ming Du, Wei-Ling Guo, Yu-Qing Zhai, Shuai Feng, Su-Jing Wang. “DFT study of three C22H14isomers of tripentaprismane”,International Journal of Quantum Chemistry,2006, 106(7): 1508-1515. LIU Feng-Ling*, DU Ai-Ming, WANG Su-Jing. “Theoretical Study on Two C16H12O4Isomers of Derivatives of Pagodane”,Chinese J. Struct. Chem.,2006, 25(2): 180-186.

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