| 论文 |
| 1 |
Mengzhao Li, Xiaoyue Yan, Meiyu Zhu, Meiqi Wang, Danhong Zhou*，Insight into the stereoselectivity of TS-1 in epoxidation of cis/trans-2-hexene: a computational study, Catalysis Science & Technology，2018,8(19):4975-4984 |
| 2 |
Structure and catalytic activity of a newly proposed titanium species in a Ti-YNU-1 zeolite: a density functional theory study， M. Li, Y. Wang, Y. Wu, M. Wang and D. Zhou* Catal. Sci. Technol., 2017, 7, 4105–4114 |
| 3 |
邹晶，范志琳，姜丽莎，周丹红*， Ti-MWW分子筛钛氧活性中心与溶剂分子吸附作用的理论研究，物理化学学报，2016,32(4), 935-942 |
| 4 |
Y. M. Qiao, Z.L. Fan, Y.J. Jiang, N. Li, H. Dong, N. He, D.H. Zhou, Structures and vibrational spectra of Ti-MWW zeolite upon adsorption of H2O and NH3: A density functional theory study, Chin J Catal 2015, 36:1733 |
| 5 |
Haichao Li, Juan Wang, Danhong Zhou, Dongxu Tian, Chuan Shi, Ulrich Müller, Mathias Feyen, Hermann Gies, Feng-Shou Xiao, Dirk De Vos, Toshiyuki Yokoi, Xinhe Bao, Weiping Zhang*，Structural stability and Lewis acidity of tetravalent Ti, Sn, or Zr-linked interlayer-expanded zeolite COE-4: A DFT study, Microporous and Mesoporous Materials, 2015, 218:160-166 |
| 6 |
Danhong Zhou,* Huijuan Zhang, Jiajia Zhang, Haichao Li, Ning, He, Weiping Zhang, Density Functional Theory Investigations into the Structure and Spectroscopic Properties of the Ti4+ Species in Ti-MWW Zeolite, Microporous and Mesoporous Materials, 2014, 195：216 |
| 7 |
Li, H.; Zhou, D.; Tian, D; Shi, Ch.; Möller, U.; Feyen, M.; Yilmaz, B.; Gies, H.; Xiao, F.-S.; De Vos, D.; Yokoi, T.; Tatsumi, T.;. Bao, X.; Zhang*, W. “Framework Stability and Brønsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study”, Chem Phys Chem 2014, 15(6)：1700 |
| 8 |
李娜， 蒋艳娇， 乔溢铭， 周丹红*，Ti-MWW分子筛正弦孔道内骨架钛物种的结构和红外振动光谱的理论计算，无机化学学报, 2015, 31(5):901-907 |
| 9 |
Zhou*, D.; Zuo, Sh.; Xing, Sh; Methane Dehydrogenation and Coupling to Ethylene over Mo/HZSM-5 Catalyst: A DFT Study, J. Phys. Chem. C, 2012, 116, 4060–4070
Su, J.; Xiong, G.; Zhou, J. C.; Liu, W.H.; Zhou, D.; Wang, G.R.; Wang, X.S.; Guo, H.C. Amorphous Ti species in titanium silicalite-1: Structural features, chemical properties, and inactivation with sulfosalt, J.Catal. 2012, 288:1-7 |
| 10 |
Wang, X.; Yao, W.; Zhou*, D.; Fan*, H. Theoretical study on the mechanism for NH3BH3 reduction of ketones and imines, Molecular Physics, 2013, 111(6):1-11 |
| 11 |
周丹红*，李苗苗，崔俐丽，用于监控过氧化氮的近红外荧光探针的光物理性质及PET机理，物理化学学报, 2013, 29(07): 1453- |
| 12 |
崔俐丽, 周丹红*, 李苗苗, 红移型Cu(II)离子比率荧光探针的光物理性质，物理化学学报，2013, 29 (4):745 |
| 13 |
Li, H.; Fan*, J.; Hu, M.; Cheng, G.; Zhou*, D.; Wu, T.; Song, F.; Sun, Sh.; Duan, Ch.; Peng*, X. “Highly Sensitive and Fast-Responsive Fluorescent Chemosensor for Palladium: Reversible Sensing and Visible Recovery”, Chem. Eur. J. 2012, 18:12242 |
| 14 |
左士颖, 周丹红*, 任 珏, 王凤娇， H-ZSM-5 分子筛上环己烯芳构化反应历程的理论研究，催化学报， 2012，33: 1367– |
| 15 |
王凤娇, 周丹红*, 左士颖, 曹建芳, 彭孝军，氟硼二吡咯类pH荧光探针PET光谱特性的理论计算”. 物理化学学报， 2012, 28 (7):1645 |
| 16 |
左士颖, 周丹红, 任 珏, 王凤娇， H-ZSM-5 分子筛上环己烯芳构化反应历程的理论研究，催化学报， 2012，33:1367 |
| 17 |
Danhong Zhou, Shiying Zuo, and Shuangying Xing，Methane Dehydrogenation and Coupling to Ethylene over a Mo/HZSM-5 Catalyst: A Density Functional Theory Study， J. Phys. Chem. C 2012, 116:4060 |
| 18 |
王凤娇, 周丹红, 左士颖, 曹建芳, 彭孝军，氟硼二吡咯类pH荧光探针PET光谱特性的理论计算，物理化学学报， 2012, 28 (7):1645 |
| 19 |
李惊鸿，周丹红，任珏，物理化学学报，Ga/HZSM-5分子筛上乙烯二聚反应的理论研究， 2011, 27 (6),:1393 |
| 20 |
任 珏, 周丹红, 李惊鸿, 曹 亮, 邢双英，密度泛函理论研究分子筛相邻双酸性位对乙烯质子化反应的影响，催化学报，2011, 32(6): 1056 |
| 21 |
Xin Li, Jing Guan, Anmin Zheng, Danhong Zhou, Xiuwen Han, Weiping Zhang, Xinhe Bao，DFT studies on the reaction mechanism of cross-metathesis of ethylene and 2-butylene to propylene over heterogeneous Mo/HBeta catalyst J. Mol. Catal. A-Chem., 2010, 330:99 |
| 22 |
D.H.Zhou, Y.Zhang, H.Y. Zhu, D. Ma, X.H. Bao, The Structure, Stability and Reactivity of Mo-oxo species in H-ZSM5 Zeolites: Density Functional Theory Study, J. Phys. Chem. C 2007, 111(5): 2081 |
| 23 |
The Formation Mechanism of Mo-methylidene Species over Mo/HBeta Catalysts for Heterogeneous Olefin Metathesis: A Density Functional Theory Study Jing Guan, Gang Yang, Danhong Zhou, Weiping Zhang, Xianchun Liu, Xiuwen Han, Xinhe Bao J. Mol. Catal. A-Chem., 2009, 300(1-2): 41 |
| 24 |
曹亮，周丹红*，邢双英，李新，H-ZSM-5分子筛上乙烯芳构化过程中C4至C6中间体的反应机理，催化学报，2010, 31 (6): 645 |
| 25 |
XING Shuangying1, ZHOU Danhong, CAO Liang, LI Xin， Density Functional Theory Study on the Structure of Molybdenum Carbide and the Catalytic Mechanism for Methane Activation in ZSM-5 Zeolite， Chin J Catal, 2010, 31 (4):415 |
| 26 |
Hongyuan ZHU, Yuan ZHANG, Danhong ZHOU, Jing GUAN and Xinhe BAO, Density Functional Theory Study on Structure of Molybdenum Carbide Loaded on MCM-22 Zeolite and Mechanism for Methane Activation, Chinese Journal of Catalysis, 2007, 28(2):180 |
| 27 |
Danhong Zhou，Ying Bao, Mingmei Yang,Yan Wang, Xianchun Liu , Xinhe Bao, Density Functional Studies on the Brönsted Acidity of MCM-22 zeolite, Journal of Molecular Catalysis A: Chemical, 2006, 244: 11 |
| 28 |
Gang Yang, Danhong Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao, Possible active sites in Fe/ZSM-5 zeolite for the direct benzene hydroxylation to phenol: 1. μ-Oxo[Fe,M] species (M = Fe, Al), Journal of molecular structure, 2006, 797:131 |
| 29 |
Danhong Zhou, Ning He, Yuqing Wang, Gang Yang, Xianchun Liu, Xinhe Bao,DFT Study of the Acid Strength of MCM-22 with double Si/Al Substitutions in 12MR supercage, Journal of Molecular Structure: THEOCHEM. 2005, 756:39 |
| 30 |
Danhong Zhou, Maoqing Yang,Xianchun Liu, Xiuwen Han, Xinhe Bao，Enhancement on the hydrothermal stability of ZSM-5 zeolites by the cooperation effect of exchanged lanthanum and phosphoric species, Gang Yang, Jianqin Zhuang, Yan Wang, Journal of Molecular Structure ：THEOCHEM 2005, 737 :271 |
| 31 |
D. Zhou, D. Ma, X. Liu, and X. Bao, Study with Density Functional Theory Method on Methane Dehydro-Aromatization over Mo/HZSM-5 Catalysts I: Optimization of Active Mo Species Bonded to ZSM-5 Zeolite J Chem . Phys, 2001,114: 9125 |
| 32 |
Danhong Zhou, Ding Ma, Yan Wang, Xianchun Liu, Xinhe Bao，Study with Density Functional Theory Method on Methane C-H bond activation on the MoO2/HZSM-5 active center， Chemical Physics Letters, 373(2003)46 |
| 33 |
Mengzhao Li, Xiaoyue Yan, Meiyu Zhu, Danhong Zhou*. Theoretical Investigation on the Spectroscopic Properties and Catalytic Activities of the Ti-Hydroperoxo Intermediates in Titanosilicate Zeolites. Microporous and Mesoporous Materials, 2020,299，110133，（1区IF4.55) |
| 34 |
Hao Xu, Yejun Guan, Xinqing Lu, Jinpeng Yin, Xiaohong Li,* Danhong Zhou,*# and Peng Wu* ,Relation of Selective Oxidation Catalytic Performance to Microenvironment of TiIV Active Site Based on Isotopic Labeling, ACS Catal. 2020, 10, 4813−4819 (1区12.48） |
