贵州大学计算机校外导师,贵州大学龙波（校外导师）

教师介绍

龙波，男，1981年8月生，教授、博士、硕士生导师、博士生导师，贵州省第十二批优秀青年科技人才，2019年参加了国家自然科学优秀青年基金的答辩。

主要研究领域与方向是发展和应用电子结构方法，准确模拟强关联分子体系的物理化学性质及团簇的电子结构与性质。

主要招生学科方向：凝聚态物理

Email: wwwltcommon@sina.com

个人主页：http://www.bolonglab.com

主要经历

2001.09-2005.06贵州大学物理系物理学专业本科学习

2005.09-2008.06中国科学院合肥物质科学研究院环境光谱研究实验室光学专业硕士研究生学习

2008.08-2012.12贵州民族大学计算机与信息工程学院 讲师

2011.09-2015.07清华大学化学系化学专业博士研究生学习

2013.01-2017.12贵州民族大学材料科学与工程学院副教授

2014.06-至今    贵州大学物理学硕士生导师(外聘)

2015.09-2016.09美国明尼苏达大学化学系访问学者

2017.09-2018.09中国科学院合肥物质科学研究院西部之光访问学者

2018.01-至今    贵州民族大学材料科学与工程学院教授

2018.09-2019.07北京师范大学化学学院高校青年骨干访问学者

2019/05-至今    华南理工大学化学与化工学院 博士生导师(外聘)

2019/05-至今    贵州民族大学物理学 硕士生导师

所获荣誉

贵州省第十二批优秀青年科技人才

全国模范教师

科研成果

主要从事理论与计算大气化学、燃烧化学反应机理和动力学及新型材料构建研究。已主持国家自然科学基金面上项目1项，参与国家自然科学基金项目2项，主持省部级项目6项；已在Nat. Commun. Proc. Natl. Acad. Sci. USA (PNAS) (影响因子：9.504), J. Am. Chem. Soc.(JACS) (影响因子：14.357); Environ. Sci. Technol. (影响因子：6.653); Nano Res. (影响因子：7.994); Phys. Chem. Chem. Phys.(影响因子：3.906); ChemPhysChem; J. Phys. Chem. A; RSC Adv.; J. Phys. Chem.C; Chem. Phys. Lett.; J. Mol. Struct (theorem); Chin. J. Chem. Phys.; Int. J. Quan.Chem.以及《中国科学》等国际国内权威刊物发表SCI论文40余篇，总引用次数650余次。

2018年以来主要承担的科研项目

1、项目批准号：41775125，项目名称：烯烃臭氧化产生甲酸的关键过程及机理研究 ，直接费用：68.00万元，项目起止年月：2018年01月至2021年12月，国家自然科学基金面上项目，主持。

2、项目批准号：黔科合基础[2018]1080，项目名称：大气中RO2自由基的关键转化过程的第一性原理模拟研究，直接经费：10.00万元，2018年08月至2020年07月，贵州省科学技术基金，主持。

发表的学术论著

1、Huang, M.; Zhang, W.; Hao, L.;Wang, Z.; Zhao, W.; Gu, X.; Guo, X.; Liu, X.; Long, B.; Fang, L. Laser desorption/ionization mass spectrometric study of secondary organic aerosol formed from the photooxidation of aromatics. J Atmos Chem, 2007, 58, 237-252.

2、Long, B.; Huang, M. Q.; Wang, Z. Y.; Zhang, W. J.*, Theoretical Studies on the Kinetics and Mechanisms of Reactions for Methyl Vinyl Ether and Ozone. Chin. J. Chem. Phys. 2008, 21, 324-332.

3、Huang, M.; Zhang, W.; Wang, Z.; Hao, L.; Zhao, W.; Liu, X.; Long, B.; Fang, L. Theoretical investigation on the detailed mechanism of the OH‐initiated atmospheric photooxidation of o‐xylene. Int. J.Quantum. Chem. 2008, 108, 954-966.

4、Huang, M.; Zhang, W.-J; Wang, Z.; Hao, L.; Zhao, W.; Liu, X.; Long, B.; Fang, L., Theoretical investigation on the mechanism and kinetics of toluene-OH adduct with oxygen molecule. J. Mol. Stucut: THEOCHEM. 2008, 862, 28-32.

5、Long, B.*; Cheng, J. R.; Tan, X. F.; Zhang, W. J., Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid. J. Mol. Stucut: THEOCHEM. 2009, 916, 159-167.

6、Long, B.*; Tan, X. F.; Ren, D. S.; Zhang, W. J., Theoretical Study on the Water-Catalyzed Reaction of Glyoxal with OH Radical. J. Mol. Stucut: THEOCHEM. 2010, 956, 44-49.

7、Long, B.*; Tan, X. F.; Ren, D. S.; Zhang, W. J., Theoretical Studies on Energetics and Mechanisms of the Decomposition of CF3OH. Chem. Phys. Lett. 2010, 492, 214-219.

8、Long, B.*; Tan, X. F.; Long, Z. W.; Ren, D. S.; Zhang, W. J., Theoretical Study on Decomposition of CF3OH Catalyzed by Water Dimer and Ammonia. Chin. J. Chem. Phys. 2011, 24, 16-21.

9、Long, B.*; Tan, X.-F.; Long, Z.-W.; Wang, Y.-B.; Ren, D.S.; Zhang, W. J., Theoretical Studies on Reactions of the Stabilized H2COO with HO2 and the HO2···H2O Complex. J. Phys. Chem. A 2011, 115, 6559-6567.

10、Long, B.; Zhang, W. J.; Long, Z. W., Theoretical Study on Impact of Single Water Molecule on OH + O3Reaction. Chin. J. Chem. Phys. 2011, 24, 419-424.

11、Long, B.*; Zhang, W. J.; Tan, X. F.; Long, Z. W.; Wang, Y. B.; Ren, D. S., Theoretical Study on the Gas Phase Reaction of Sulfuric Acid with Hydroxyl Radical in the Presence of Water. J. Phys. Chem. A 2011, 115, 1350-1357.

12、Long, B.*; Zhang, W. J.; Tan, X. F.; Long, Z. W.; Wang, Y. B.; Ren, D. S., Theoretical studies on the gas phase reaction mechanisms and kinetics of glyoxal with HO2with water and without water. Comput. Theor. Chem., 2011, 964, 248-256.

13、Long, B.*; Long, Z.-W.; Wang, Y.-B.; Zhang, W.-J.; Long, C.-Y.; Qin, S.-J., Theoretical study on HO2-initiated atmospheric oxidation of halogenated carbonyls. Int. J. Quantum Chem. 2012, 112, 1926-1935.

14、Long , B.*; Long, Z.-W.; Wang, Y.-B.*; Tan, X.-F.; Han, Y.-H.; Long, C.-Y.; Qin, S.-J.; Zhang, W.-J., Formic Acid Catalyzed Gas-Phase Reaction of H2O with SO3and the Reverse Reaction: A Theoretical Study. ChemPhysChem 2012, 13, 323-329.

15、Chang, C.-R.; Yang, X.-F.; Long, B.; Li, J., A Water-Promoted Mechanism of Alcohol Oxidation on a Au(111) Surface: Understanding the Catalytic Behavior of Bulk Gold. ACS Catalysis 2013, 3, 1693-1699.

16、Long, B.*; Tan, X.-F.; Chang, C.-R.; Zhao, W.-X.; Long, Z.-W.; Ren, D.-S.; Zhang, W.-J.*, Theoretical Studies on Gas-Phase Reactions of Sulfuric Acid Catalyzed Hydrolysis of Formaldehyde and Formaldehyde with Sulfuric Acid and H2SO4···H2O Complex. J. Phys. Chem. A 2013, 117, 5106-5116.

17、Mao, W.-X.; Long, Z.-W.; Long, B.; Wang, Y.-B.; Long, C.-Y.; Qin, S.-J., Theoretical study on the gas phase reaction of dimethyl sulfoxide with atomic chlorine in the presence of water. Struct. Chem. 2013, 24, 383-392.

18、Gao Chenggui, L. Z., Tan Xingfeng, Long Bo, Long Chaoyun, Qin Shuijie, Zhang Weijun, Theoretical Studies on the Single Water Molecule Effects on the Reaction of HOBr with OH·. Acta Chimica Sinica 2013, 71, 849-856.

19、Long, B.*; Chang, C.-R.; Long, Z.-W.; Wang, Y.-B.; Tan, X.-F.; Zhang, W.-J., Nitric acid catalyzed hydrolysis of SO3 in the formation of sulfuric acid: A theoretical study. Chem. Phys. Lett. 2013, 581, 26-29.

20、Liu, F.-Y.; Long, Z.-W.*; Tan, X.-F.; Long, B.*, Theoretical investigation on mechanisms and kinetics of the reactions of Cl atom with CH3OOH and CH3CH2OOH. Computational and Theoretical Chemistry 2014, 1038, 33-39.

21、Liu, F.-Y.; Long, Z.-W.; Tan, X.-F.; Long, B.*, The reaction mechanisms and kinetics of CF3CHFOCH3and CHF2CHFOCF3with atomic chlorine: a computational study. Journal of Molecular Modeling 2014, 20, 1-9.

22、高成贵，隆正文，谭兴凤，龙波， 张为俊， 龙超云， 秦水介，气相中HRnCCH和X (X= H2O, NH3) 反应机理的理论研究，高等学校化学学报2014，35, 344-350。

23、Huang, Z.-Q.; Long, B.; Chang, C.-R., A theoretical study on the catalytic role of water in methanol steam reforming on PdZn(111). Catalysis Science & Technology 2015, 5, 2935-2944.

24、Liu, F.-Y.; Tan, X.-F.; Long, Z.-W.; Long, B.*; Zhang, W.-J*., New insights in atmospheric acid-catalyzed gas phase hydrolysis of formaldehyde: a theoretical study. RSC Advances 2015, 5, 32941-32949.

25、Chang, C.-R.; Long, B.; Yang, X.-F.; Li, J., Theoretical Studies on the Synergetic Effects of Au–Pd Bimetallic Catalysts in the Selective Oxidation of Methanol. J. Phys. Chem. C 2015, 119, 16072-16081.

26、Gai, Y.; Lin, X.; Ma, Q.; Hu, C.; Gu, X.; Zhao, W.; Fang, B.; Zhang, W.; Long, B.; Long, Z. Experimental and Theoretical Study of Reactions of OH Radicals with Hexenols: An Evaluation of the Relative Importance of the H-Abstraction Reaction Channel. Environ. Sci. Technol. 2015, 49, 10380-10388.

27、常春然;赵亚帆;龙波;黄正清;李隽.水在化学反应中的(助)催化作用研究进展.中国科学:化学2015, 46, 1-11.

28、Long, B.; Bao, J. L.; Truhlar, D. G.*, Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water. J. Am. Chem. Soc. 2016, 138, 14409-14422.

29、Long, B.; Tang, Y.; Li, J.*, New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts: Supported and doped Au1/ThO2. Nano Research 2016, 9, 3868-3880.

30、Wang, D.-m.; Long, Z.-w.; Tan, X.-f.; Long, B.*; Zhang, W.-j.* Theoretical Study on Gas Phase Reactions of OH Hydrogen-Abstraction from Formyl Fluoride with Different Catalysts. Chinese Journal of Chemical Physics 2016, 29, 325.

32、Tang, Y.; Zhao, S.; Long, B.; Liu, J. C.; Li, J. On the Nature of Support Effects of Metal Dioxides MO2(M = Ti, Zr, Hf, Ce,Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect. J. Phys. Chem. C 2016, 120, 17514-17526.

33、Huang, W.; Xing, D. H.; Lu, J. B.; Long, B.; Schwarz, W. H.; Li, J. How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO4 Species. J. Chem. Theory. Comput. 2016, 12, 1525-1533.

34、Long, B.*; Tan, X.-F.; Bao, J. L.; Wang, D.-M.; Long, Z.-W., Theoretical Study of the Reaction Mechanism and Kinetics of HO2with XCHO (X = F, Cl). Int. J. Chem. Kinet. 2017, 49 (2), 130-139.

35、Long, B.; Bao, J. L.; Truhlar, D. G.*, Reaction of SO2with OH in the atmosphere. Phys. Chem. Chem. Phys. 2017, 19 (11), 8091-8100.

36、Wei, M.-L.; Tan, X.-F.; Long, Z.-W.*; Long, B.*, Atmospheric chemistry of CH3O: its unimolecular reaction and reactions with H2O, NH3, and HF. RSC Adv., 2017, 7 (89), 56211-56219.

37、Tan, F. X.; Long, B.*; Ren, D.-S.; Zhang, J. W.; Long, Z.-W.; Mitchell, E.*, Atmospheric Chemistry of CH3CHO: The Hydrolysis of CH3CHO Catalyzed by H2SO4. Phys. Chem. Chem. Phys., 2018, 20, 7701-7709.

38、Long, B.*; Bao, J. L.; Truhlar, D. G.*, Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere. Proc. Natl. Acad. Sci. USA 2018, 115, 6135-6140.

39、Dong, Z.-G.; Xu, F.; Long, B.*, The energetics and kinetics of the CH3CHO + (CH3)2NH/CH3NH2reactions catalyzed by a single water molecule in the atmosphere. Comput. Theor. Chem., 2018，1140, 7-13.

40、Zhang, Q.; Lin, X.; Gai, Y.; Ma, Q.; Zhao, W.; Fang, B.; Long, B.; Zhang, W. Kinetic and mechanistic study on gas phase reactions of ozone with a series of cis-3-hexenyl esters. RSC Adv. 2018, 8, 4230-4238.

41、Ma, Q.; Lin, X.; Yang, C.; Long, B.; Gai, Y.; Zhang, W. The influences of ammonia on aerosol formation in the ozonolysis of styrene: roles of Criegee intermediate reactions. Royal Society open science 2018, 5, 172171.

42、Long, B.*; Bao, J. L.*; Truhlar, D. G.* Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry. Nature communications 2019, 10, 2003.

43、Long, B.*; Bao, J. L.; Truhlar, D. G.* Kinetics of the Strongly Correlated CH3O + O2Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry. J. Am. Chem. Soc. 2019，141，611-617