DFT studies on the mechanism of alcohol oxidation by the (bpy)CuI-TEMPO/NMI catalytic system 程琳 2015 Dalton Trans. SCI IF 4.197 Mechanistic Insight into the Aerobic Oxidation of Benzyl Alcohol Catalyzed by the CuII-TEMPO Catalyst in Alkaline Water Solution 程琳 2015 rsc advances SCI IF:3.840 Zn 吸附到含有氧空位(VO)以及羟基(-OH)的锐钛矿相TiO2(101)表面电子结构的第一性原理计算 马丽莎(研究生),张前程,程琳* 2013 物理学报,2013,62(18):187101 防火防爆课程设计教学模式研究与改革 程琳 2012 科技信息,2012,06:123-123 DFT Studies on the Mechanism of Alcohol Oxidation Catalyzed by the NiIII/bipy Complex 程琳 李杰 李佳宁 郑红娜 武志坚 2012 European Journal of Inorganic Chemistry, 2012, 2353–2358. SCI影响因子:2.9 Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional study 王梅艳,程琳,洪波,武志坚 2011 Journal of Computational Chemistry, 2011, 32, 1170-1177. SCI Mechanistic insight into the alcohol oxidation mediated by an efficient green [CuBr2(2,2 -bipy)]-TEMPO catalyst by density functional method 程琳,王金平,王梅艳,武志坚 2010 Inorganic Chemistry, 2010, 49, 9392-9399 SCI影响因子:4.657 Theoretical studies on the reaction mechanism of alcohol oxidation by high-valent iron-oxo complex of non-heme ligand 程琳,王金平,王梅艳,武志坚 2010 Physical Chemistry Chemical Physics, 2010, 12, 4092-4103. SCI影响因子:4.116 Density functional theory studies of Mechanistic insight into the alcohol oxidation mediated by an efficient green CuII-bipy catalyst with and without TEMPO 程琳,王金平,王梅艳,武志坚 2010 Dalton Transactions, 2010, 39:5377-5387. SCI影响因子:4.081 Electronic structures and chemical bonding in 4d- and 5d-transition metal mononitrides 洪波,程琳,王梅艳,武志坚 2010 Molecular Physics, 2010, 108, 25-33 SCI影响因子:1.634 Regioselective Bisselenation of Allenes Catalyzed by Palladium Complex: A Theoretical Study. 王梅艳,程琳,洪波,武志坚 2009 Organometallics, 2009, 28, 1506–1513. SCI影响因子:4.204 Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory. Journal of Computational Chemistry 王梅艳,程琳,洪波,武志坚 2009 Journal of Computational Chemistry, 2009, 30:1521–1531 SCI影响因子:3.769 Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst 程琳,王金平,王梅艳,武志坚 2009 Dalton Transactions, 2009, 3286-3297. SCI影响因子:4.081 Theoretical Studies on the Reaction Mechanism of Palladium(0)-Catalyzed Addition of Thiocyanates to Alkynes. 王梅艳,程琳,洪波,武志坚 2008 Dalton Transactions, 2008, 3879−3888. SCI影响因子:4.081 Theoretical Studies on the Reaction Mechanism of Platinum-Catalyzed Diboration of Allenes. 王梅艳,程琳,洪波,武志坚 2008 Organometallics, 2008, 27, 6464−6471. SCI影响因子:4.204 Density Functional Study on the Reaction Mechanism of Palladium-Catalyzed Addition of Cyanoboranes to Alkynes. 王梅艳,程琳,洪波,武志坚 2008 Journal of Computational Chemistry, 2008, 29, 1825−1839. SCI影响因子:3.769 Electronic structures and chemical bonding in 4d transition metal mono-halides 程琳 2007 Journal of Computational Chemistry, 2007, 28, 2190-2202. SCI影响因子:3.768