王海軍，男，江南大學教授，博士生導師。主要從事機理和理論計算方面的研究工作。
基本介紹
- 中文名：王海軍
- 國籍：中國
- 民族：漢
- 性別：男
人物經歷,研究方向,主要貢獻,
人物經歷
研究方向
1.套用有機催化及有機合成；
2.新能源的開發，生物質的利用；
3.鋰電池及正極材料、負極材料的製備；
4.計算化學及分子設計。
主要貢獻
近年來縱向及橫向課題
1.離子液體在秸稈預處理及水解中的套用；
2.離子液體催化降解廢舊尼龍的研究；
3.鋰電池，鋰電池電解液；
4.谷胱甘肽與金屬離子相互作用的理論研究；
5.螯合型表面活性劑的理論與實驗研究
6.胺基酸離子液體-溶劑二元體系的結構熱力學研究；
7.大豆胰蛋白酶抑制劑結構與抗腫瘤活性相關性模型研究；
8.BOC-苯丙氨酸的合成；
9.吡唑酮的化學合成；
10.乙醯氧肟酸的合成；
11.α－苯基丙烯酸的化學合成；
12.奧扎格雷的化學合成；
申請及授權的專利
1.一種具有螯合能力的雙子型表面活性劑的製備方法，CN101229496 B
2.離子液體在纖維素水解製備還原糖中的套用，CN102071266 A
3.胺基酸離子液體催化酯交換製備生物柴油，CN101974372 A
發表的SCI學術論文
Densities and volumetric properties of binary mixtures of amino ionic liquid [bmim][Glu] or [bmim][Gly] with benzaldehyde at T = (298.15 to 313.15) K,J. Chem. Thermodynamics 2010, 42, 640-645. MP2 study on the stacking interactions between 2-hydroxyadenine and four DNA bases, J. Solution Chem., 2010, 39, 770-777. The effect of oxidation on the stability of G:C pair: a MP2 study, Structural Chemistry,2010, 21, 931-937，Thermodynamic Properties of the Binary Mixtures of 1, 2-Dichloroethane with Chlorobenzene and Bromobenzene from (298.15 to 313.15) K, J. Chem. Eng. Data, 2010, 55, 4541-4545.DFT study on the structure and cation-anion interaction of amino acid ionic liquid of [C3mim][Glu] J. Mol. Struct: THEOCHEM, 2010, 952, 16-24. Theoretical Study on the Structure and Cation-Anion Interaction of Amino Acid Cation Based Amino Acid Ionic Liquid [Pro][NO3] J. Phys. Chem. A 2010, 114, 10243-10252. DFT Calculations on Hydrogen-Bonded Complexes Formed Between Guanine and Acrylamide J. Solution Chem., 2010, 39, 1341-1349. A theoretical study of the structure and aromaticity of nitrogen-containing thiocarbon Structural Chemistry 2010, 21, 1221-1226,，Application of Prigogine–Flory–Patterson theory to excess molar volume of mixtures of 1-butyl-3-methylimidazolium ionic liquids with N-methyl-2-pyrrolidinone J. Chem. Thermodynamics 2009, 41, 265-272.Densities and volumetric properties of binary mixtures of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate with benzaldehyde at T = (298.15 to 313.15) K,J. Chem. Thermodynamics 2009, 41, 888-892.Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study J. Chem. Thermodynamics 2009, 41, 315-322.Hydrogen-Bonding Interaction in a Complex of Amino Acid with N,N-Dimethylformamide Studied by DFT Calculations J. Solution Chem., 2009, 38, 303-313.Hydrogen-bonding interaction in a complex of amino acid with urea studied by DFT calculations Structure Chemistry, 2009, 20, 213-220,Density Functional Theory Study of the Ionic Liquid [emim]OH and Complexes [emim]OH(H2O)n (n = 1, 2)J Solution Chem.2009, 38, 1139-1154.Density functionaltheory study on the –SO3H functionalized acidic ionic liquidsStructure Chemistry, 2009, 20, 509-515. Theoretical study of interaction of 2,6-dithiopurine with Li, Na, K, Be, Mg, and Ca metal cations Structure Chemistry, 2009, 20, 169-175.Hydrogen-bondinginteraction of 5,6-dihydrouracil with RNA bases: DFT and MP2 studies Journal of Molecular Structure, 2009, 915, 33-37A DFT studyon the metal binding selectivity of 12-crown-4 and its heterocyclic analogs. Journal of Molecular Structure, 2009, 901, 157–162.The nitrogen position effect on the selectivity of diazacrown ethers to metal ion Journal of Molecular Structure, 2009, 910, 163-168.A DFT studyon the selective extraction of 12-crown-4 to metallic ions Journal of Solution Chemistry, 2009, 38. 713–724.
