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Sun, Qiao, Wang, Meng, Li, Zhen, Du, Aijun and Searles, Debra J. (2014) A computational study of carbon dioxide adsorption on solid boron. Physical Chemistry Chemical Physics, 16 25: 12695-12702. doi:10.1039/c4cp00044g 31   2 Cited 2 times in Scopus2 0
Li, Qingling, Sun, Qiao, Gu, Jinsong and Tan, Xiaojun (2013) A computational study of the addition reaction of cyclopropenylidene with methyleneimine. Russian Journal of Physical Chemistry A, 87 5: 806-812. doi:10.1134/S0036024413050336 38   1 Cited 1 times in Scopus1 0
Tan, Xiaojun, Li, Zhen, Sun, Qiao, Li, Ping, Wang, Weihua and Wang, Guorong (2012) A theoretical study on the mechanism of the addition reaction between cyclopropenylidene and ethylene. Journal of the Chilean Chemical Society, 57 2: 1174-1177. 49   1 Cited 1 times in Scopus1
Chen, Chen, Sun, Qiao, Ren, Dong-Xue, Zhang, Rui, Bai, Feng-Ying, Xing, Yong-Heng and Shi, Zhan (2013) Bromoperoxidase mimic as catalysts for oxidative bromination-synthesis, structures and properties of the diversified oxidation state of vanadium(III, IV and V) complexes with pincer N-heterocycle ligands. CrystEngComm, 15 27: 5561-5573. doi:10.1039/c3ce40410b 44   4 Cited 6 times in Scopus6 0
Sun, Qiao, Wang, Meng, Li, Zhen, Du, Aijun and Searles, Debra J. (2014) Carbon dioxide capture and gas separation on B80 fullerene. Journal of Physical Chemistry C, 118 4: 2170-2177. doi:10.1021/jp407940z 54   7 Cited 6 times in Scopus6 0
Sun, Qiao, Altarawneh, Mohammednoor, Dlugogorski, Bogdan Z., Kennedy, Eric M. and Mackie, John C. (2007) Catalytic Effect of CuO and Other Transition Metal Oxides in Formation of Dioxins: Theoretical Investigation of Reaction Between 2,4,5-Trichlorophenol and CuO. Environmental science and technology, 41 15: 5708-5715. doi:10.1021/es062354h 83   21 Cited 21 times in Scopus21 0
Yi-Min, Li, Qiao, Sun, Hai-Yang, Li, Mao-Fa, Ge and Dian-Xun, Wang (2005) Characterization and Activity of CH3OOH and CH3CH2OOH Study on a Photoelectron Spectroscopy. Chinese journal of chemistry [electronic resource]., 23 8: 993-996. doi:10.1002/cjoc.200590993 149   0 Cited 0 times in Scopus0 0
Sun, Qiao, Li, Zhen, Searles, Debra J., Chen, Ying, Lu, Gaoqing (Max) and Du, Aijun (2013) Charge-controlled switchable CO2 capture on boron nitride nanomaterials. Journal of the American Chemical Society, 135 22: 8246-8253. doi:10.1021/ja400243r 99   23 Cited 24 times in Scopus24 23
Sun, Qiao, Wang, Meng, Li, Zhen, Ma, Yingying and Du, Aijun (2013) CO2 capture and gas separation on boron carbon nanotubes. Chemical Physics Letters, 575 59-66. doi:10.1016/j.cplett.2013.04.063 45   4 Cited 8 times in Scopus8 0
Li, Zhen, Du, Ai Jun, Sun, Qiao, Aljada, Muhsen, Cheng, Li Na, Riley, Mark J., Zhu, Zhong Hua, Cheng, Zhen Xiang, Wang, Xiao Lin, Hall, Jeremy, Krausz, Elmars, Qiao, Shi Zhang, Smith, Sean C. and Lu, Gao Qing (Max) (2011) Cobalt-doped cadmium selenide colloidal nanowires. Chemical Communications, 47 43: 11894-11896. doi:10.1039/c1cc13467a 107   11 Cited 11 times in Scopus11 0
Li, Zhen, Lu, Gaoqing (Max), Sun, Qiao, Smith, Sean C. and Zhu, Zhonghua (2013). Colloidal Semiconductor Nanowires. In Tianyou Zhai and Jiannian Yao (Ed.), One-dimensional nanostructures: principles and applications (pp. 65-104) Hoboken, NJ United States: John Wiley and Sons Inc.. doi:10.1002/9781118310342.ch4 53   Cited 0 times in Scopus0 0
Li, Zhen, Cheng, Lina, Sun, Qiao, Zhu, Zhonghua, Riley, Mark J., Aljada, Muhsen, Cheng, Zhenxiang, Wang, Xiaolin, Hanson, Graeme R., Qiao, Shizhang, Smith, Sean C. and Lu, Gao Qing (Max) (2010) Diluted magnetic semiconductor nanowires prepared by the solution-liquid-solid method. Angewandte Chemie (International Edition), 49 15: 2777-2781. doi:10.1002/anie.200907021 209   33 Cited 33 times in Scopus33 0
Li, Yimin, Zeng, Xiaoqing, Sun, Qiao, Li, Haiyang, Ge, Maofa and Wang, Dianxun (2007) Electronic structure of H2CS3 and H2CS4: An experimental and theoretical study. Spectrochimica acta. Part A: Molecular and Biomolecular Spectroscopy, 66 4-5: 1261-1266. doi:10.1016/j.saa.2006.06.016 107   6 Cited 6 times in Scopus6 0
Zeng, Xiaoqing, Yao, Li, Wang, Weigang, Liu, Fengyi, Sun, Qiao, Ge, Maofa, Sun, Zheng, Zhang, Jianping and Wang, Dianxun (2006) Electronic structures of acyl nitrites and nitrates. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64 4: 949-955. doi:10.1016/j.saa.2005.09.003 43   11 Cited 11 times in Scopus11 0
Sun, Qiao, Bu, Yuxiang, Sun, Lixiang, Yan, Shihai and Cheng, Xueli (2005) Electron transfer reactivity of methyl-substituted amine NHn(CH3)3-n/NHn(CH3)[stack 3-n+ ] (n = 0-3) self-exchange systems: a theoretical investigation. Journal of physical organic chemistry, 18 1: 69-82. doi:10.1002/poc.802 72   3 Cited 0 times in Scopus0 0
Moskaleva, Lyudmila V., Chen, Zhao-Xu, Aleksandrov, Hristiyan A., Mohammed, Amjad Basha, Sun, Qiao and Rösch, Notker (2009) Ethylene conversion to ethylidyne over Pd(111): Revisiting the mechanism with first-principles calculations. Journal of Physical Chemistry C, 113 6: 2512-2520. doi:10.1021/jp8082562 107   26 Cited 28 times in Scopus28 0
Li, Zhen, Du, Ai Jun, Sun, Qiao, Aljada, Muhsen, Zhu, Zhong Hua and Lu, Gao Qing (Max) (2012) Field-effect transistors fabricated from diluted magnetic semiconductor colloidal nanowires. Nanoscale, 4 4: 1263-1266. doi:10.1039/c2nr11627h 97   8 Cited 9 times in Scopus9 0
Sun, Qiao, Li, Zhen, Zeng, Xiaoqing, Wang, Weigang, Sun, Zheng, Ge, Maofa, Wang, Dianxun, Mok, Daniel Kam Wah and Chau, Foo-tim (2005) First experimental observation of the CH3Se radical. ChemPhysChem, 6 10: 2032-2035. doi:10.1002/cphc.200500150 51   5 Cited 5 times in Scopus5 0
Yao, Li, Zeng, Xiaoqing, Ge, Maofa, Ding, Yunfeng, Wang, Weigang, Du, Lin, Sun, Zheng, Sun, Qiao and Wang, Dianxun (2006) First experimental observation on different ionic states of isopropylthio ((CH3)2CHS) radical. Chemical Physics Letters, 422 4-6: 466-469. doi:10.1016/j.cplett.2006.03.028 54   5 Cited 5 times in Scopus5 0
Zhang, Hong, Sun, Qiao, Li, Zhen, Nanbu, Shinkoh and Smith, Sean S. (2012) First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model. Computational and Theoretical Chemistry, 990 185-193. doi:10.1016/j.comptc.2012.02.035 66   5 Cited 5 times in Scopus5 0
Qiao, Sun and Yuxiang, Bu (2002) Golden-role Study the Electron Transfer Reactivity of NH3/NH3+ System. Acta Chimica Sinica, 60 3: 1353-1358. 47  
Wei, Dong-Ming, Li, Zhen, Sun, Qiao, Cao, Yun-Zhu, Xing, Yong-Heng and Ren, Dong-Xue (2011) Half-sandwich scorpionate nickel complexes with aliphatic dicarboxylic acid co-ligands. Transition Metal Chemistry, 36 6: 621-629. doi:10.1007/s11243-011-9511-1 74   3 Cited 3 times in Scopus3 0
Du, Aijun, Sanvito, Stefano, Li, Zhen, Wang, Dawei, Jiao, Yan, Liao, Ting, Sun, Qiao, Ng, Yun Hau, Zhu, Zhonghua, Amal, Rose and Smith, Sean C. (2012) Hybrid graphene and graphitic carbon nitride nanocomposite: Gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response. Journal of the American Chemical Society, 134 9: 4393-4397. doi:10.1021/ja211637p 106   86 Cited 88 times in Scopus88 9
Li, Ping, Wang, Weihua, Sun, Qiao, Li, Zhen, Du, Aijun, Bi, Siwei and Zhao, Yan (2013) Insights into the mechanism of the reaction between tetrachloro-p- benzoquinone and hydrogen peroxide and their implications in the catalytic role of water molecules in producing the hydroxyl radial. ChemPhysChem, 14 12: 2737-2743. doi:10.1002/cphc.201300395 32   0 Cited 0 times in Scopus0 1
Wang, Weihua, Li, Zhen, Sun, Qiao, Du, Aijun, Li, Yunling, Wang, Jing, Bi, Siwei and Li, Ping (2012) Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study. Corrosion Science, 61 101-110. doi:10.1016/j.corsci.2012.04.025 36   6 Cited 8 times in Scopus8 0
Liu, Dong, Li, Zhen, Sun, Qiao, Kong, Xue, Zhao, Azhen and Wang, Zongxian (2012) In situ FT-IR study of thiophene adsorbed on the surface of sulfided Mo catalysts. Fuel, 92 1: 77-83. doi:10.1016/j.fuel.2011.07.043 67   6 Cited 8 times in Scopus8 0
Sun, Qiao, Li, Zhen, Lan, Zhenggang, Pfisterer, Christoph, Doerr, Markus, Fischer, Stefan, Smith, Sean C. and Thiel, Walter (2012) Isomerization mechanism of the HcRed fluorescent protein chromophore. Physical Chemistry Chemical Physics, 14 32: 11413-11424. doi:10.1039/c2cp41217a 24   Cited 6 times in Scopus6 0
Zhang, Hong, Wang, Sufan, Sun, Qiao and Smith, Sean C. (2009) Kinteic isotope effect for ground state proton transfer in the green fluorescent protein: A quantum-kinetic model. Physical Chemistry Chemical Physics, 11 48: 8422-8424. doi:10.1039/b912507h 45   25 Cited 25 times in Scopus25 0
Zhang, Xiao Xi, Zhang, Rui, Sun, Qiao, Wei, Si Yue, Xu, Xue Ting, Wang, Ji Xiao, Bai, Feng Ying and Xing, Yong Heng (2014) Living supramolecular compounds: influence of multiple hydrogen bond connection on molecular configuration of monophosphate or pyrophosphate thiamine with anions or coordination anions. Zeitschrift fur Anorganische und Allgemeine Chemie, 640 14: 2981-2990. doi:10.1002/zaac.201400412 6   0 Cited 0 times in Scopus0 0
Sun, Qiao, Li, Zhen, Wang, Meng, Du, Aijun and Smith, Sean C. (2012) Methane activation on Fe-4 cluster: a density functional theory study. Chemical Physics Letters, 550 41-46. doi:10.1016/j.cplett.2012.08.057 31   7 Cited 7 times in Scopus7 0
Bell, Craig A., Sun, Qiao, Zhang, Hong, Smith, Sean C., Bernhardt, Paul V. and Monteiro, Michael J. (2010) Methyl acrylate polymerizations in the presence of a copper/N3S3 macrobicyclic cage in DMSO at 25 °C. Polymer Chemistry, 1 2: 207-212. doi:10.1039/b9py00315k 74 2 3 Cited 3 times in Scopus3 0
Smith, S. C. and Sun, Q (2010) Molecular modelling: all the way from atomistic structure to function in complex systems. Australian Journal of Chemistry, 63 3: 343-344. doi:10.1071/CH10108 43   1 Cited 1 times in Scopus1 0
Sun, Qiao, Wang, Meng, Li, Zhen, Li, Ping, Wang, Weihua, Tan, Xiaojun and Du, Aijun (2013) Nitrogen removal from natural gas using solid boron: a first-principles computational study. Fuel, 109 575-581. doi:10.1016/j.fuel.2013.03.032 23   4 Cited 5 times in Scopus5 0
Zhimin, Qiao, Zeng, Yanli, Shutao, Sun, Qiao, Sun and Dianxun, Wang (2004) PES and Theoretical Study on the Ionization Potentials of Iodine Trichloride. Acta Chimica Sinica, 60 14: 1353-1356. 57   1 Cited 1 times in Scopus1
Hou, Ya-Nan, Xu, Xue-Ting, Xing, Na, Bai, Feng-Ying, Duan, Shi-Bo, Sun, Qiao, Wei, Si-Yue, Shi, Zhan, Zhang, Huan-Zhi and Xing, Yong-Heng (2014) Photocatalytic application of 4f-5f inorganic-organic frameworks: influence of lanthanide contraction on the structure and functional properties of a series of uranyl-lanthanide complexes. Chempluschem, 79 9: 1304-1315. doi:10.1002/cplu.201402121 18   0 0
Yimin, Li, Haiyang, Li, Qiao, Sun and Dianxun, Wang (2003) Photoelectron Spectroscopic (PE) Spectra of PAN and PPN Moleculers. Acta Chim. Sin., 61 9: 1492-1495. 43   4 Cited 4 times in Scopus4
Zhimin, Qiao, Qiao, Sun, Shutao, Sun and Dianxun, Wang (2004) Photoelectron spectroscopy (PES) and theoretical studies on bromine monochloride. Acta Chimica Sinica, 62 4: 433-435. 57   5 Cited 5 times in Scopus5
Li, Zhen, Sun, Qiao and Gao, Mingyuan (2004) Preparation of water-soluble magnetite nanocrystals from hydrated ferric salts in 2-pyrrolidone: Mechanism leading to Fe3O4. Angewandte Chemie International Edition, 44 1: 123-126. doi:10.1002/anie.200460715 91   155 Cited 13 times in Scopus13 0
Yimin, Li, Zhimin, Qiao, Qiao, Sun, Jincai, Zhao, Haiyang, Li and Dianxun, Wang (2003) Preparations of Pure ISeCN, ISCN, and INCO. Inorganic chemistry, 42 25: 8446-8448. doi:10.1021/ic030158v 32   14 Cited 2 times in Scopus2 0
Sun, Qiao, Doerr, Markus, Zhen Li,, Smith, Sean C. and Thiel, Walter (2010) QM/MM studies of structural and energetic properties of the far-red fluorescent protein HcRed. Physical Chemistry Chemical Physics, 12 10: 2450-2458. doi:10.1039/b918523b 56   16 Cited 17 times in Scopus17 0
Xiaoqing, Zeng, Fengyi, Liu, Qiao, Sun, Maofa, Ge, Jianping, Zhang, Xicheng, Ai, Lingpeng, Meng, Shijun, Zheng and Dianxun, Wang (2004) Reaction of AgN3 with SOCl2: Evidence for the Formation of Thionyl Azide, SO(N3)2. Inorganic chemistry, 43 16: 4799-4801. doi:10.1021/ic049442s 77   Cited 4 times in Scopus4 0
Fengyi1, Liu, Xiaoqing, Zeng, Qiao, Sun, Lingpeng, Meng, Shijun, Zheng, Xicheng, Ai, Jianping, Zhang, Maofa, Ge and Dianxun, Wang (2005) Reaction of (COCl)2 with AgN3: Evidence for the Formation of Oxalyl Diazide O2C2(N3)2. Bulletin of the Chemical Society of Japan, 78 7: 1246-1250. doi:10.1246/bcsj.78.1246 110   3 Cited 0 times in Scopus0 0
Li, Zhen, Sun, Qiao, Yao, Xiang Dong, Zhu, Zhong Hua and Lu, Gao Qing (Max) (2012) Semiconductor nanowires for thermoelectrics. Journal of Materials Chemistry, 22 43: 22821-22831. doi:10.1039/c2jm33899h 76   8 Cited 8 times in Scopus8 0
Sun, Qiao, Wang, Sufan, Zhang, Hong, Li, Zhen, Pifisterer, Christoph, Fischer, Stefan, Nanbu, Shinko and Smith, Sean C. (2010) Structural and relaxation effects in proton wire energetics: Model studies of the green fluorescent protein photocycle. Australian Journal of Chemistry, 63 3: 363-370. doi:10.1071/CH09509 66   6 Cited 6 times in Scopus6 0
Qiao, Sun, Yuxiang, Bu, Mei, Qin and Keli, Han (2005) Structural properties and electron transfer reactivity of NX3/NX3+ (X=H, F) coupling systems. Journal of Molecular Structure: THEOCHEM, 714 2-3: 165-174. doi:10.1016/j.theochem.2004.09.043 45   0 Cited 0 times in Scopus0 0
Sun, Qiao, Li, Zhen, Zeng, Xiaoqing, Ge, Maofa and Wang, Dianxun (2005) Structures and properties of the hydrogen-bond complexes: Theoretical studies for the coupling modes of the pyrazole–imidazole system. Journal of Molecular Structure. Theochem, 724 1-3: 167-172. doi:10.1016/j.theochem.2005.02.049 53   23 Cited 24 times in Scopus24 0
Sun, Qiao, Li, Zhen, Zeng, Xiaoqing, Ge, Moafa and Wang, Dianxun (2005) Studies on the structural properties of iodine-containing complexes: DFT calculations for IO–H2O and HOI–H2O systems. Journal of Molecular Structure: Theochem, 724 1-3: 155-161. doi:10.1016/j.theochem.2005.01.015 68   10 Cited 10 times in Scopus10 0
Li, Zhen, Ma, Xuedan, Sun, Qiao, Wang, Zhe, Liu, Jian, Zhu, Zhonghua, Qiao, Shi Zhang, Smith, Sean C., Lu, Gaoqing (Max) and Mews, Alf (2010) Synthesis and characterization of colloidal core-shell semiconductor nanowires. European Journal of Inorganic Chemistry, 2010 27: 4325-4331. doi:10.1002/ejic.201000734 111   16 Cited 22 times in Scopus22 0
Song, Ge, Sun, Qiao, Hou, Ya-Nan, Zhan, Rui, Wei, Dong-Ming, Shi, Zhan and Xing, Yong-Heng (2013) Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes. Chinese Journal of Inorganic Chemistry, 29 10: 2150-2156. doi:10.3969/j.issn.1001-4861.2013.00.302 55 7 0 0
Wang, Xin-Yu, Li, Zhen, Sun, Qiao, Bai, Feng-Ying and Xing, Yong-Heng (2012) Synthesis, structure and spectrum study of copper and silver complexes of pyrazole derivative. Chinese Journal of Inorganic Chemistry, 28 3: 483-490. 96 5 4 Cited 2 times in Scopus2

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