劉曉強(qiáng)，男，漢族，理學(xué)博士，副教授，云南昆明
教育經(jīng)歷：
2017.09—2019.09 中國石油大學(xué)（北京），地球科學(xué)學(xué)院，博士后，地質(zhì)學(xué)專業(yè)，合作導(dǎo)師：李美俊教授;
2010.09—2015.07 四川大學(xué)，物理化學(xué)專業(yè)，理論與計(jì)算化學(xué)方向，導(dǎo)師：薛英教授；
2006.09—2010.07 曲靖師范學(xué)院，應(yīng)用化學(xué)專業(yè)，導(dǎo)師：郭洪教授。
工作經(jīng)歷：
2023.08—至今 中國石油大學(xué)（北京）克拉瑪依校區(qū)，石油學(xué)院，副教授；
2015.06—2023.08 四川輕化工大學(xué)（原四川理工學(xué)院），化學(xué)與環(huán)境工程學(xué)院，講師/副教授；
2017.09—2020.09 中國石油大學(xué)（北京），地球科學(xué)學(xué)院，博士后。
主講課程：
《反應(yīng)動(dòng)力學(xué)與分子模擬（研究生）》、《分子設(shè)計(jì)及模擬（研究生）》、《大學(xué)化學(xué)》、《非常規(guī)油氣資源》、《物理化學(xué)》、《有機(jī)化學(xué)》、《結(jié)構(gòu)化學(xué)》等。
研究方向
煤層氣吸附擴(kuò)散機(jī)理、頁巖氣/頁巖油/含氦天然氣吸附擴(kuò)撒機(jī)理、CCUS (碳捕集、利用與封存)、油氣運(yùn)移方向地球化學(xué)示蹤、有機(jī)質(zhì)生烴和油藏中原油裂解機(jī)理等方面的分子模擬。
代表性成果：
1、 代表性科研項(xiàng)目
[1] 原油裂解分子模擬及超深層油藏保存機(jī)制，國家自然基金面上項(xiàng)目，42173054，2022.01-2025.12，參與，在研；
[2] 天然氣擴(kuò)散過程中碳同位素分餾效應(yīng)的微觀機(jī)理，中國博士后科學(xué)基金面上項(xiàng)目，2019M650961，2019.05-2020.06，主持，結(jié)題；
[3] 四川盆地下寒武統(tǒng)筇竹寺組頁巖含氣性評(píng)價(jià)的實(shí)驗(yàn)和分子模擬研究，四川省自然科學(xué)基金，2022NSFSC0182，2022.01-2024.12，主持，在研；
[4] 分子模擬在頁巖氣擴(kuò)散分餾效應(yīng)中的初步應(yīng)用，油氣資源與探測國家重點(diǎn)實(shí)驗(yàn)室，PRP/open-1803，2018.06-2020.06，主持，結(jié)題；
[5] 深部頁巖體中頁巖氣藏競爭吸附和擴(kuò)散的多尺度模擬研究，四川省教育廳，17ZA0274，2017.06—2020.06，主持，結(jié)題；
[6] 四川盆地頁巖氣擴(kuò)散過程中碳同位素分餾效應(yīng)的多尺度分子動(dòng)力學(xué)模擬，自貢市重點(diǎn)科技計(jì)劃項(xiàng)目，2020YGJC28，2020.01-2021.12，主持，結(jié)題；
[7] CH4和CO2在Al?/Si?摻雜石墨烯催化下直接轉(zhuǎn)化成CH3COOH的密度泛函理論研究，化學(xué)合成與污染四川省重點(diǎn)實(shí)驗(yàn)室開放基金，CSPC202009，2020.06-2023.06，主持，結(jié)題；
[8] 湘安地1井下寒武統(tǒng)黑色頁巖氣顯示異常的實(shí)驗(yàn)和分子模擬研究，克校區(qū)基金，XQZX20240019，2021.01-2026.12，主持，在研。
2、代表性學(xué)術(shù)論文
迄今在國內(nèi)外學(xué)術(shù)期刊發(fā)表學(xué)術(shù)論文77余篇，其中以第一作者和通訊作者在Chemical Engineering Journal、Energy、Fuel、Applied Surface Science、ACS Applied Materials & Interfaces、Marine and Petroleum Geology等國內(nèi)外重要學(xué)術(shù)期刊發(fā)表論文15篇。其代表作如下：
[1] Bin Yue, Liang Lin, Ying Lei*, Huaming Xie, Yujun Si, Qian Yang, Xiaoqiang Liu*, O, N Coordination-Mediated Nickel Single-Atom Catalysts for High-Efficiency Generation of H2O2, ACS Applied Materials & Interfaces, 15(2023), 33665–33674. （二區(qū)，IF= 9.5，Top 期刊）
[2] Fen Yue, Zeqin Chen*, Xiaoqiang Liu*, Zhiyu Xue, Xue Yang, Meijun Li, Mengmeng He, Ying Xue, CO2 mineralization and CH4 effective recovery in orthoclase slit by molecular simulation, Chemical Engineering Journal, 430 (2022) 133056.（一區(qū)，IF=15.1，Top 期刊）
[3] Xue Yang, Zeqin Chen*, Xiaoqiang Liu*, Zhiyu Xue, Fen Yue, Junjie Wen, Meijun Li, Ying Xue, Correction of gas adsorption capacity in quartz nanoslit and its application in recovering shale gas resources by CO2 injection: A molecular simulation, Energy, 240 (2022) 122789. （一區(qū)，IF= 9，Top 期刊）
[4] Mengmeng He, Xiao-Qiang Liu*, Meijun Li, Yi Yang*, Zeqin Chen, Weidong Jiang, Haiming Tang, Onyekachi Raymond, Multiple hydrogen bonds enhancing formaldehyde adsorption on functionalized zigzag graphene nanoribbons, Applied Surface Science, 586 (2022) 152834. （一區(qū)，IF= 6.7，Top 期刊）
[5] 賀萌萌, 李文科, 劉曉強(qiáng)*, 李美俊, 楊義, 周鑫玥, CCSD(T)/CBS法標(biāo)定CO2和CH4轉(zhuǎn)化為CH3COOH的活化能, 四川輕化工大學(xué)學(xué)報(bào)(自然科學(xué)版), 35 (2022) 22-30.
[6] 劉曉強(qiáng), 李美俊*, 唐友軍, 朱志立, 祁靈, 師生寶, 冷筠瀅, 韓秋雅, 肖洪, 有機(jī)質(zhì)中三聯(lián)苯成熟度參數(shù)及其化學(xué)機(jī)理:基于地球化學(xué)數(shù)據(jù)和量子化學(xué)計(jì)算, 地球化學(xué), 49 (2020) 218-226.
[7] Qin Zhang, Jun Shu, Yajun Zhang, Zhigang Xu, Jian Yue, Xiaoqiang Liu*, Bin Xu, Zhongzhu Chen, Weidong Jiang*, Structures and esterolytic reactivity of novel binuclear copper(ii) complexes with reduced l-serine Schiff bases as mimic carboxylesterases, Dalton Transactions, 49 (2020) 10261-10269. （二區(qū)，IF= 4）
[8] Ning Wang, Meijun Li*, Xiaoqiang Liu*, Haitao Hong, Xingwang Tian, Chengyu Yang, Shengbao Shi, Peng Liu, Geo-chromatographic fractionation effect of methyldibenzofuran in dolomite reservoirs and its application in tracing oil filling pathways in the Sichuan Basin, Marine and Petroleum Geology, 113 (2020) 104126. （二區(qū)，IF=4.348）
[9] Xiao-Qiang Liu, Meijun Li*, Chenghua Zhang, Ronghui Fang, Ningning Zhong, Ying Xue, Yang Zhou, Weidong Jiang, Xu-Yang Chen, Mechanistic insight into the optimal recovery efficiency of CBM in sub-bituminous coal through molecular simulation, Fuel, 266 (2020) 117137. （一區(qū)，IF=7.4，Top 期刊）
[10] Yang Zhou, Xiaoqiang Liu（共同一作）, Weidong Jiang, Yuanjie Shu, Theoretical insight into reaction mechanisms of 2,4-dinitroanisole with hydroxyl radicals for advanced oxidation processes, Journal of molecular modeling, 24 (2018) 44. （四區(qū)，IF= 2.172）
[11] Xiaoqiang Liu, Chun Zhou, Honggang Xia, Yang Zhou, Weidong Jiang, Dissipative particle dynamics simulation on the self-assembly of linear ABC triblock copolymers under rigid spherical confinements, e-Polymers, 17 (2017) 321-331. （四區(qū)，IF= 3.074）
[12] Xiao-Qiang Liu, Xu He, Nian-Xiang Qiu, Xin Yang, Zhi-Yue Tian, Mei-Jun Li, Ying Xue, Molecular simulation of CH4, CO2, H2O and N2 molecules adsorption on heterogeneous surface models of coal, Applied Surface Science, 389 (2016) 894-905. （一區(qū)，IF= 6.7，Top 期刊，他引110次，高被引）
[13] Xiao-Qiang Liu, Zhi-Yue Tian, Wei Chu, Ying Xue, CH4, CO2 and H2O Adsorption on Nonmetallic Atom-Decorated Graphene Surfaces, Acta Physico-Chimica Sinica, 2 (2014) 251-256. （二區(qū)，IF= 2.268）
[14] Xiao-Qiang Liu, Ying Xue, Zhi-Yue Tian, Jing-Jing Mo, Nian-Xiang Qiu, Wei Chu, He-Ping Xie, Adsorption of CH4 on nitrogen- and boron-containing carbon models of coal predicted by density-functional theory, Applied Surface Science, 285 (2013) 190-197. （一區(qū)，IF= 6.7，Top 期刊）
[15] Xiao-Qiang Liu, Lu Jin, Chan Kyung Kim, Ying Xue, Role of bifunctional catalyst 2-pyridone in the aminolysis of p-nitrophenyl acetate with n-butylamine: A computational study, Journal of Molecular Catalysis A: Chemical (Molecular Catalysis), 355 (2012) 102-112. （二區(qū)，IF= 4.6）
獎(jiǎng)勵(lì)：
[1] 2022年，古老油氣藏油氣成因與評(píng)價(jià)，綠色礦山科學(xué)技術(shù)（科技進(jìn)步）一等獎(jiǎng)（排名第八）;
[2] 2022年，自貢市第九屆自然科學(xué)優(yōu)秀學(xué)術(shù)論文二等獎(jiǎng)（排名第一）；
[3] 2019年，第十七屆全國有機(jī)地球化學(xué)學(xué)術(shù)會(huì)議榮獲優(yōu)秀青年論文口頭報(bào)告獎(jiǎng)（排名第一）。
論文：
[1] Haochen Chen, Meijun Li, Xiaoqiang Liu, Qiuya Han, Wenke Li, Siyuan Zhang, The pyrolysis of 4,4,8,10-tetramethyl decalin and the influence of molecular structures on oil thermal cracking: A ReaxFF molecular dynamics simulation and DFT study, Fuel, 2024,362, 130857.
[2] Le Zhou, Ping Li, Xusheng Yang, Jiahao Wu, Bingjie Hou, Bin Xu, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, Activated peroxymonosulfate with co-doped copper oxide nanomaterials for highly efficient degradation of organic pollutants, Separation and Purification Technology, 2023,325, 124671.
[3] Bin Yue, Liang Lin, Ying Lei, Huaming Xie, Yujun Si, Qian Yang, Xiaoqiang Liu, O, N Coordination-Mediated Nickel Single-Atom Catalysts for High-Efficiency Generation of H2O2, ACS Applied Materials & Interfaces, 2023,15, 33665-33674.
[4] Xusheng Yang, Ping Li, Jiahao Wu, Le Zhou, Bin Xu, Xiaobin Zhang, Xiaoqiang Liu, Pingchuan Pan, Weidong Jiang, Bicomponent CuO/NiCo2O4 nanocomposites for the dehydrogenation of ammonia borane and the tandem hydrogenation of halogenated nitroaromatics, Reaction Chemistry & Engineering, 2023,8, 2537-2548.
[5] Hong Xiao, Meijun Li, Ning Wang, Chengyu Yang, Qiuya Han, Xiaoqiang Liu, Ningning Zhong, Shuichang Zhang, Nansheng Qiu, Occurrence of deep liquid oil reservoirs in the Sichuan and Tarim basins as constrained by geological evidences and molecular simulation, Energy Exploration & Exploitation, 2023,41, 2121-2139.
[6] Xiuyang Wang, Jun Shu, Tong Ni, Chengxu Xu, Bin Xu, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, Transesterification of RNA model induced by novel dinuclear copper (II) complexes with bis-tridentate imidazole derivatives, JBIC Journal of Biological Inorganic Chemistry, 2023,28, 473-483.
[7] Xin Wang, Meijun Li, Taotao Yang, Bang Zeng, Yang Shi, Xiaoqiang Liu, Youjun Tang, Identification, distribution and geochemical significance of benzo[b]naphthofurans and benzo[b]naphthothiophenes in source rocks from the Beibuwan Basin, South China Sea, Chemical Geology, 2023,626, 121454.
[8] Jiyu Tang, Kaiming Zhang, Tong Ni, Bin Xu, Binjie Hou, Xiaoqiang Liu, Weidong Jiang, Multiple fluorescence and hydrogen peroxide-responsive properties of novel triphenylamine–benzothiazole derivatives, Analytical Methods, 2023,15, 4021-4031.
[9] Ping Li, Xusheng Yang, Jingxia Wang, Guangyin Fan, Bin Xu, Xiaobin Zhang, Chaorong Peng, Xiaoqiang Liu, Weidong Jiang, Gamma-ray-irradiated construction of CuCo-based nanocomposites for attractive hydrogen production and tandem hydrogenation, International Journal of Hydrogen Energy, 2023,48, 27710-27725.
[10] Qiuya Han, Meijun Li, Xiaoqiang Liu, Hong Xiao, Junhao Ren, Chengbo Guo, A maturation scale for molecular simulation of kerogen thermal degradation, Organic Geochemistry, 2023,175, 104507.
[11] 王遠(yuǎn), 吳嘉, 金霄, 劉曉強(qiáng), 李美俊, 鐘寧寧, 含S自由基促進(jìn)沉積有機(jī)質(zhì)生烴的本質(zhì)——H轉(zhuǎn)移機(jī)制, 地球化學(xué), 2023,52, 172-179.
[12] 錢英強(qiáng), 楊雪, 劉曉強(qiáng), 李美俊, 陳澤琴, 薛英, 煙道氣驅(qū)替石英狹縫孔中頁巖氣的分子模擬, 石油實(shí)驗(yàn)地質(zhì), 2023,45, 560-565.
[13] Kaiming Zhang, Qin Zhang, Jian Yue, Zhigang Xu, Xiaoqiang Liu, Bin Xu, Zhongzhu Chen, Weidong Jiang, Esterolytic Reactivities of Novel Copper(Ii) Complexes with Reduced N-Salicylate Threonine Schiff Bases as Carboxylase Models, SSRN Electronic Journal, 2022.
[14] Kaiming Zhang, Qin Zhang, Xiuyang Wang, Jian Yue, Tong Ni, Bin Xu, Xiaoqiang Liu, Weidong Jiang, Hydrolytic reactivity of novel copper(II) complexes with reduced N-salicylate threonine Schiff bases: distinguishable effects of various micelles, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022,655, 130279.
[15] J. Yue, Y. Chen, X. Y. Wang, B. Xu, Z. G. Xu, X. Q. Liu, Z. Z. Chen, K. M. Zhang, W. D. Jiang, Artificial phosphatase upon premicellar nanoarchitectonics of lanthanum complexes with long-chained imidazole derivatives, Journal of Colloid and Interface Science, 2022,627, 459-468.
[16] Fen Yue, Zeqin Chen, Xiaoqiang Liu, Zhiyu Xue, Xue Yang, Meijun Li, Mengmeng He, Ying Xue, CO2 mineralization and CH4 effective recovery in orthoclase slit by molecular simulation, Chemical Engineering Journal, 2022,430, 133056.
[17] Xue Yang, Zeqin Chen, Xiaoqiang Liu, Zhiyu Xue, Fen Yue, Junjie Wen, Meijun Li, Ying Xue, Correction of gas adsorption capacity in quartz nanoslit and its application in recovering shale gas resources by CO2 injection: A molecular simulation, Energy, 2022,240, 122789.
[18] Xiuyang Wang, Jun Shu, Tong Ni, Chengxu Xu, Jiyu Tang, Bin Xu, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, Multiple stimuli-responsive properties of Coumarin-Salicylaldehyde Schiff Bases, Dyes and Pigments, 2022,208, 110820.
[19] Y. Tang, R. Wang, D. Zhang, X. Liu, H. Li, T. Xu, Y. Zhang, C. Zhang, Y. Huang, T. Wang, Carbazoles in Oils, and Their Application in Identifying Oil Filling Pathways in Eocene Syn-Rift Fault Blocks in the Dongpu Depression, Bohai Bay Basin, East China, ACS Omega, 2022,7, 8103-8114.
[20] Jiyu Tang, Fuling Li, Chang Liu, Jun Shu, Jian Yue, Bin Xu, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, Attractive benzothiazole-based fluorescence probe for the highly efficient detection of hydrogen peroxide, Anal Chim Acta, 2022,1214, 339939.
[21] Wei Liu, Jun Wang, Xingwen Zheng, Kaiming Zhang, Xiaoqiang Liu, Two dimensional monolayers TetraHex-CX2 (X = N, P, As, and Sb) with superior electronic, mechanical and optical properties, Physical Chemistry Chemical Physics, 2022,24, 29601-29608.
[22] Xiao-Long Li, Bin Xie, Chuan Lai, Jian-Shen Feng, Xiao-Qiang Liu, Luo Chen, Yu-Geng Yang, Run-Wu Ji, Jia-Yu He, Wei Li, Meng-Nan Liu, Adsorption and corrosion inhibition performance of two planar rigid pyridinecarboxaldehyde-based double Schiff bases for mild steel in HCl solution: Experimental and computational investigations, Journal of Molecular Liquids, 2022,355, 118926.
[23] Meijun Li, Qiuya Han, Xiaoqiang Liu, Jin Xu, Haochen Chen, Yuanyuan Ma, New insights into the pyrolysis of n-tetradecane using ReaxFF molecular dynamics simulations: Implications for understanding the thermal cracking of subsurface crude oil, Energy Exploration & Exploitation, 2022,41, 44-61.
[24] Mengmeng He, Xiao-Qiang Liu, Meijun Li, Yi Yang, Zeqin Chen, Weidong Jiang, Haiming Tang, Onyekachi Raymond, Multiple hydrogen bonds enhancing formaldehyde adsorption on functionalized zigzag graphene nanoribbons, Applied Surface Science, 2022,586, 152834.
[25] 尤兵, 陳踐發(fā), 肖洪, 劉曉強(qiáng), 劉凱旋, 富氦天然氣藏氦源巖特征及關(guān)鍵評(píng)價(jià)參數(shù), 天然氣工業(yè), 2022,42, 141-154.
[26] 賀萌萌, 李文科, 劉曉強(qiáng), 李美俊, 楊義, 周鑫玥, CCSD(T)/CBS法標(biāo)定CO2和CH4轉(zhuǎn)化為CH3COOH的活化能, 四川輕化工大學(xué)學(xué)報(bào)(自然科學(xué)版), 2022,35, 22-30.
[27] 方镕慧, 劉曉強(qiáng), 張聰, 李美俊, 夏響華, 黃志龍, 楊程宇, 韓秋雅, 湯韓琴, 溫度壓力耦合作用下的頁巖氣吸附分子模擬, 天然氣地球科學(xué), 2022,33, 138-152.
[28] Wenli Zhou, Min Yue, Qin Liu, Feng Wang, Liying Liu, Lu Wang, Xiaoqiang Liu, Meilin Zheng, Hong Xiao, Qunhua Bai, Jieying Gao, Measuring urinary concentrations of neonicotinoid insecticides by modified solid-phase extraction-ultrahigh performance liquid chromatography-tandem mass spectrometry: Application to human exposure and risk assessment, Chemosphere, 2021,273, 129714-129714.
[29] Xianwen Zhang, Ping Li, Bin Xu, Jingxia Wang, Guangyin Fan, Xiaobin Zhang, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, In Situ Hydrogen Activation Inspiring Efficient One-Pot Hydrogenation of Halogenated Nitrobenzenes over Ni-Co-Based Composites, Industrial & Engineering Chemistry Research, 2021,60, 8312-8323.
[30] K. M. Zhang, J. Shu, W. D. Chu, X. Q. Liu, B. Xu, W. D. Jiang, Rational design of coumarin fluorophore with solvatochromism, AIE and mechanofluorochromic enhancement properties, Dyes and Pigments, 2021,185.
[31] Jun Shu, Jian Yue, Xin Qiu, Xiaoqiang Liu, Wang Ren, Qianli Li, Yulong Li, Bin Xu, Kaiming Zhang, Weidong Jiang, Binuclear metal complexes with a novel hexadentate imidazole derivative for the cleavage of phosphate diesters and biomolecules: distinguishable mechanisms, Inorganic Chemistry Frontiers, 2021,8, 2684-2696.
[32] Jun Shu, Tong Ni, Xiaoqiang Liu, Bin Xu, Lang Liu, Wendao Chu, Kaiming Zhang, Weidong Jiang, Mechanochromism, thermochromism, protonation effect and discrimination of CHCl3 from organic solvents in a Et2N-substituted Salicylaldehyde Schiff base, Dyes and Pigments, 2021,195, 109708.
[33] Ping Li, Xianwen Zhang, Jingxia Wang, Bin Xu, Xiaobin Zhang, Guangyin Fan, Limei Zhou, Xiaoqiang Liu, Kaiming Zhang, Weidong Jiang, Binary CuO/TiO2 nanocomposites as high-performance catalysts for tandem hydrogenation of nitroaromatics, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2021,629, 127383.
[34] 李美俊, 劉曉強(qiáng), 韓秋雅, 肖洪, 方镕慧, 何大祥, 高志偉, 分子模擬在油氣地球化學(xué)中的應(yīng)用研究進(jìn)展, 石油與天然氣地質(zhì), 2021,42, 919-930.
[35] Xianwen Zhang, Qin Zhang, Bin Xu, Xiaoqiang Liu, Kaiming Zhang, Guangyin Fan, Weidong Jiang, Efficient Hydrogen Generation from the NaBH4 Hydrolysis by Cobalt-Based Catalysts: Positive Roles of Sulfur-Containing Salts, ACS Applied Materials & Interfaces, 2020,12, 9376-9386.
[36] Q. Zhang, J. Shu, Y. Zhang, Z. Xu, J. Yue, X. Liu, B. Xu, Z. Chen, W. Jiang, Structures and esterolytic reactivity of novel binuclear copper(ii) complexes with reduced l-serine Schiff bases as mimic carboxylesterases, Dalton Trans, 2020,49, 10261-10269.
[37] Ning Wang, Meijun Li, Xiaoqiang Liu, Haitao Hong, Xingwang Tian, Chengyu Yang, Shengbao Shi, Peng Liu, Geo-chromatographic fractionation effect of methyldibenzofuran in dolomite reservoirs and its application in tracing oil filling pathways in the Sichuan Basin, Marine and Petroleum Geology, 2020,113, 104126.
[38] Wen-Yu Mou, Tao Li, Bin Xie, Dong-Liang Zhang, Chuan Lai, Cheng-Long Deng, Jia-Xi Cao, Xiao-Xue Bai, Xiao-Qiang Liu, Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution, Inorganica Chimica Acta, 2020,507, 119587.
[39] Xiao-Qiang Liu, Meijun Li, Chenghua Zhang, Ronghui Fang, Ningning Zhong, Ying Xue, Yang Zhou, Weidong Jiang, Xu-Yang Chen, Mechanistic insight into the optimal recovery efficiency of CBM in sub-bituminous coal through molecular simulation, Fuel, 2020,266, 117137.
[40] Qiuya Han, Meijun Li, Xiaoqiang Liu, Weidong Jiang, Shengbao Shi, Youjun Tang, Daxiang He, Fractionation of alkylated carbazoles in petroleum during subsurface migration: Evidence from molecular simulation and application in sandstone reservoirs, Journal of Petroleum Science and Engineering, 2020, 107308.
[41] 劉曉強(qiáng), 李美俊, 唐友軍, 朱志立, 祁靈, 師生寶, 冷筠瀅, 韓秋雅, 肖洪, 有機(jī)質(zhì)中三聯(lián)苯成熟度參數(shù)及其化學(xué)機(jī)理:基于地球化學(xué)數(shù)據(jù)和量子化學(xué)計(jì)算, 地球化學(xué), 2020,49, 218-226.
[42] Zhili Zhu, Meijun Li, Youjun Tang, Ling Qi, Junying Leng, Xiaoqiang Liu, Hong Xiao, Identification of phenyldibenzothiophenes in coals and the effects of thermal maturity on their distributions based on geochemical data and theoretical calculations, Organic Geochemistry, 2019, 103910.
[43] Y. Zhou, X. Liu, W. Jiang, Y. Shu, G. Xu, A theoretical insight into the reaction mechanisms of a 2,4,6-trinitrotoluene nitroso metabolite with thiols for toxic effects, Toxicol Res (Camb), 2019,8, 270-276.
[44] Fan Zhang, Xiaoqiang Liu, Xu He, Jianming Zhao, Wei Chu, Ying Xue, A periodic density functional theory study of adsorption of CO2 on anorthite (001) surface and effect of water, Journal of Theoretical and Computational Chemistry, 2019,18, 1950010.
[45] Sibo Yang, Meijun Li, Xiaoqiang Liu, Qiuya Han, Jia Wu, Ningning Zhong, Thermodynamic stability of methyldibenzothiophenes in sedimentary rock extracts: Based on molecular simulation and geochemical data, Organic Geochemistry, 2019,129, 24-41.
[46] Hong Xiao, Meijun Li, Wenqiang Wang, Bing You, Xiaoqiang Liu, Zhe Yang, Jiguo Liu, Qingyao Chen, Martin Uwiringiyimana, Identification, distribution and geochemical significance of four rearranged hopane series in crude oil, Organic Geochemistry, 2019, 103929.
[47] Yang Zhou, Xiaoqiang Liu, Weidong Jiang, Yuanjie Shu, Theoretical insight into reaction mechanisms of 2,4-dinitroanisole with hydroxyl radicals for advanced oxidation processes, Journal of molecular modeling, 2018,24, 44.
[48] Meijun Li, Xiaoqiang Liu, T. G. Wang, Weidong Jiang, Ronghui Fang, Lu Yang, Youjun Tang, Fractionation of dibenzofurans during subsurface petroleum migration: Based on molecular dynamics simulation and reservoir geochemistry, Organic Geochemistry, 2018,115, 220-232.
[49] Weidong Jiang, Bin Xu, Guangyin Fan, Kaiming Zhang, Zhen Xiang, Xiaoqiang Liu, UV Light-Assisted Synthesis of Highly Efficient Pd-Based Catalyst over NiO for Hydrogenation of o-Chloronitrobenzene, Nanomaterials, 2018,8, 240.
[50] Song Geng, Xiaoli Sang, Xiaoqiang Liu, Yi Ren, Ying Xue, A theoretical study of UV-Vis spectrum and antioxidant activity of chryso-obtusin, Journal of Theoretical and Computational Chemistry, 2018,17, 1850015.
[51] Yang Zhou, Zhilin Yang, Hong Yang, Chaoyang Zhang, Xiaoqiang Liu, Reaction mechanisms of DNT with hydroxyl radicals for advanced oxidation processes-a DFT study, Journal of molecular modeling, 2017,23, 139.
[52] Lu Yang, Meijun Li, T. G. Wang, Xiaoqiang Liu, Weidong Jiang, Ronghui Fang, Hongfei Lai, Phenyldibenzofurans and Methyldibenzofurans in Source Rocks and Crude Oils, and Their Implications for Maturity and Depositional Environment, Energy & Fuels, 2017,31, 2513-2523.
[53] Lu Yang, Meijun Li, Xiaoqiang Liu, Weidong Jiang, Chengyu Yang, Hongfei Lai, Pin Kang, Using Connolly surface to characterize the adsorption of methyldibenzothiophenes, and their chemical mechanism as molecular tracer for oil filling pathways, Geochimica, 2017,46, 367-372.
[54] Bin Xu, Weidong Jiang, Xiaoqiang Liu, Fuan Liu, Zheng Xiang, Remarkable reactivity of alkoxide/acetato-bridged binuclear copper(II) complex as artificial carboxylesterase, Journal of Biological Inorganic Chemistry, 2017,22, 625-635.
[55] Yingle Liu, Ke Zhang, Weidong Jiang, Yi Yang, Yan Jiang, Xiaoqiang Liu, Ying Xie, Jincai Wu, Junjie Cai, Xiu-Hua Xu, Synthesis of 1-Difluoroalkylated Isoquinolines via Palladium-Catalyzed Radical Cascade Difluoroalkylation-Cyclization of Vinyl Isocyanides with Bromodifluoroacetic Derivatives, Chemistry-an Asian Journal, 2017,12, 568-576.
[56] Xiaoqiang Liu, Chun Zhou, Honggang Xia, Yang Zhou, Weidong Jiang, Dissipative particle dynamics simulation on the self-assembly of linear ABC triblock copolymers under rigid spherical confinements, epoly, 2017,17, 321-331.
[57] Ronghui Fang, Meijun Li, T. G. Wang, Xiaoqiang Liu, Yuan Yuan, Weidong Jiang, Daowei Wang, Shengbao Shi, Trimethyldibenzothiophenes: Molecular tracers for filling pathways in oil reservoir, Journal of Petroleum Science and Engineering, 2017,159, 451-460.
[58] 楊祿, 李美俊, 劉曉強(qiáng), 蔣維東, 楊程宇, 賴洪飛, 亢品, 甲基二苯并噻吩的吸附性及油藏充注途徑示蹤機(jī)理之Connolly分子表面計(jì)算證明, 地球化學(xué), 2017, 367-372.
[59] 劉曉強(qiáng), 李美俊, 陳旭陽, 煤層氣吸附于湘西亞煙煤中的分子模擬及在頁巖氣和石油體系中的應(yīng)用, in: 第十六屆全國有機(jī)地球化學(xué)學(xué)術(shù)會(huì)議 論文集, 重慶, 2017, pp. 276-277.
[60] 劉曉強(qiáng), 李美俊, 分子動(dòng)力學(xué)模擬在石油運(yùn)移示蹤指標(biāo)研究中的初步應(yīng)用, in: 第十六屆全國有機(jī)地球化學(xué)學(xué)術(shù)會(huì)議 論文集, 重慶, 2017, pp. 602-603.
[61] Yanan Zhou, Wenjing Sun, Wei Chu, Xiaoqiang Liu, Fangli Jing, Ying Xue, Theoretical insight into the enhanced CH4 desorption via H2O adsorption on different rank coal surfaces, Journal of Energy Chemistry, 2016,25, 677-682.
[62] Yi Yang, Long Xu, Siqi Yu, Xiaoqiang Liu, Yu Zhang, David A. Vicic, Triphenylphosphine-Mediated Deoxygenative Reduction of CF3SO2Na and Its Application for Trifluoromethylthiolation of Aryl Iodides, Chemistry – A European Journal, 2016,22, 858-863.
[63] Yingle Liu, Ke Zhang, Yangen Huang, Shen Pan, Xiao-Qiang Liu, Yi Yang, Yan Jiang, Xiu-Hua Xu, Synthesis of 3-fluoroalkenyl-3-trifluoromethyl-2-oxindoles by the reaction of indoline-2,3-diones with difluoromethylene phosphabetaine, Chemical Communications, 2016,52, 5969-5972.
[64] Xiao-Qiang Liu, Xu He, Nian-Xiang Qiu, Xin Yang, Zhi-Yue Tian, Mei-Jun Li, Ying Xue, Molecular simulation of CH4, CO2, H2O and N2 molecules adsorption on heterogeneous surface models of coal, Applied Surface Science, 2016,389, 894-905.
[65] B. Lempert David, M. Dorofeenko Ekaterina, Yuanjie Shu, Weidong Jiang, Zongkai Wu, Ke Wang, Xiaoqiang Liu, Energetic Opportunities of Solid Composite Propellants Containing Some Hypothetic Furazano-[3,4-d]-pyridazine-based Derivatives, Chinese Journal of Explosives & Propellants, 2016,39, 28-34.
[66] Weidong Jiang, Bin Xu, Zhen Xiang, Xiaoqiang Liu, Fuan Liu, Preparation and reactivity of UV light-reduced Pd/α-Fe2O3 catalyst towards the hydrogenation of o-chloronitrobenzene, Applied Catalysis A: General, 2016,520, 65-72.
[67] Dinglu Wu, Wen Jiang, Xiaoqiang Liu, Nianxiang Qiu, Ying Xue, Theoretical study about effects of H2O and Na+ on adsorption of CO2 on kaolinite surfaces, Chemical Research in Chinese Universities, 2015,32, 118-126.
[68] 何旭, 劉曉強(qiáng), 何冰, 王晗光, 劉旭東, 田之悅, 儲(chǔ)偉, 薛英, 煤層氣在含 Al, Si, P 和 S 煤結(jié)構(gòu)模型上吸附的密度泛函理論研究, 高等學(xué)?；瘜W(xué)學(xué)報(bào), 2015,36, 1786-1793.
[69] Wei Zhu, Xiao-Qiang Liu, Xiandeng Hou, Junxian Chen, Chan Kyung Kim, Kailai Xu, Modelling of catalytically oxidative decomposition of carbon tetrachloride on a ZnS nanocluster using density functional theory, Catalysis Science & Technology, 2014,4, 1038-1046.
[70] Xiao-Qiang Liu, Zhi-Yue Tian, Wei Chu, Ying Xue, CH4, CO2 and H2O Adsorption on Nonmetallic Atom-Decorated Graphene Surfaces, Acta Physico-Chimica Sinica, 2014,2, 251-256.
[71] Ze-qin Chen, Xiao-Qiang Liu, Ying Xue, Stimulation of N?glycoside transfer in deoxythymidine glycol: mechanism of the initial step in base excision repair, Journal of Molecular Modeling, 2014,20, 1-11.
[72] J. J. Mo, Y. Xue, X. Q. Liu, N. X. Qiu, W. Chu, H. P. Xie, Quantum chemical studies on adsorption of CO2 on nitrogen-containing molecular segment models of coal, Surface Science, 2013,616, 85-92.
[73] Xiao-Qiang Liu, Ying Xue, Zhi-Yue Tian, Jing-Jing Mo, Nian-Xiang Qiu, Wei Chu, He-Ping Xie, Adsorption of CH4 on nitrogen- and boron-containing carbon models of coal predicted by density-functional theory, Applied Surface Science, 2013,285, 190-197.
[74] Chenghua Zhang, Xiaoqiang Liu, Ying Xue, A general acid–general base reaction mechanism for human brain aspartoacylase: A QM/MM study, Computational and Theoretical Chemistry, 2012,980, 85-91.
[75] Xiao-Qiang Liu, Lu Jin, Chan Kyung Kim, Ying Xue, Role of bifunctional catalyst 2-pyridone in the aminolysis of p-nitrophenyl acetate with n-butylamine: A computational study, Journal of Molecular Catalysis A: Chemical, 2012,355, 102-112.
[76] 朱志立, 李美俊, 李佳陽, 祁靈, 劉曉強(qiáng), 韓秋雅, 路清華, 馬媛媛, 冷筠瀅, 沉積有機(jī)質(zhì)中苯基菲成熟度參數(shù)及其化學(xué)機(jī)理——基于地球化學(xué)數(shù)據(jù)和量子化學(xué)計(jì)算, 沉積學(xué)報(bào), 1-13.
[77] 郭成波, 李美俊, 劉曉強(qiáng), 韓秋雅, 干酪根熱解生烴分子模擬研究進(jìn)展, 沉積學(xué)報(bào), 1-25.
聯(lián)系方式：
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