作者： Wu,Xiangyu¹;Zhao,Chongyang¹;Zhang,Shaowen¹;Xie,Jing¹; （¹Key Laboratory of Cluster Science of Ministry of Education, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China）

出处： Journal of Physical Chemistry A 2024

摘要： Single water molecules alone may introduce unusual features into the kinetics and dynamics of chemical reactions. The singly hydrated hydroperoxide an ...

作者： Xiangyu Wu¹;Yang Hu¹;Shaowen Zhang¹;Jing Xie¹; （¹ Key Laboratory of Cluster Science of Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China.）

出处： The journal of physical chemistry. A 2024

摘要： The microsolvated anions HO^-(NH₃)_n were found to induce new nucleophile NH₂^-(H₂O)(NH ...

作者： Feng, Bo⁶; Wu, Lina¹; Jv, Amin^{1, 2}; Lu, Jiale^{1, 2}; Luo, Jiali^{1, 2}; Che, Guangbo⁷; Su, Bin³; Liu, Chunbo^{2, 3}; Zhang, Shaowen⁴; Guan, Renquan⁵ （¹College of Chemistry, Baicheng Normal University, Baicheng; 137000, China;²College of Safety Science and Engineering, Liaoning Technical University, Huludao; 125105, China;³Jilin Joint Technology Innovation Laboratory of Developing and Utilizing Materials of Reducing Pollution and Carbon Emissions, College of Engineering, Jilin Normal University, Siping; 136000, China;⁴School of chemistry and chemical Engineering, Key Laboratory of Cluster Science of Ministry of Education Beijing Institute of Technology, Beijing; 100081, China;⁵Northeast Normal University, China;⁶Liaoning Technical University, China;⁷Jilin Normal University, China）

出处： SSRN 2024

作者： 张汝波，张绍文 （北京理工大学化学与化工学院）

出处： 化学教育(中英文) 2024 第45卷 第2期 P116-120

关键词： 氢键强度；供体碱性；共价键长；分子振动光谱；计算化学

摘要： 通过简单量子化学计算，使学生获得系列羰基化合物/水分子之间几何和振动光谱参数，通过构建氢键供体键长与其伸缩振动波数之间的定量关系，进而理解氢键受体的碱性在氢键供体的共价键长、伸缩振动频率及其氢键强度中的重要作用。基于中学和大学教学内容，引入这种研究式教学方法能够很好地使学生把化学中的相关概念关联在一 ...

作者： Iqbal, Muhammad Asif¹;Yan, Xiangqian¹;Li, Ruoling¹;Zhijia, Fu¹;Zhang, Shaowen¹;Li, Xiaofang¹ （¹Beijing Inst Technol, Sch Chem & Chem Engn, Key Lab Cluster Sci, Minist Educ, 5 South Zhongguancun St, Beijing 100081, Peoples R China.）

出处： NEW JOURNAL OF CHEMISTRY 2024 Vol.48 No.7 P3149-3155

关键词： CROSS-COUPLING REACTIONS; C-H; TRANS-HYDROBORATION; SELECTIVE HYDROBORATION; EFFICIENT; BORYLATION; CARBODIIMIDES; SILYLATION; ALDEHYDES; SECONDARY

摘要： We herein report the regio- and chemoselective hydroboration of terminal alkynes with pinacolborane by a series of constrained-geometry catalyst-type ...

作者： Liu,Jia¹;Liu,Yi¹;Zhang,Shaowen¹;

出处： 9th International Conference on Energy Materials and Environment Engineering, ICEMEE 2023 Virtual, Online 2023

会议录： Vol.406

摘要： Polyisocyanide has attracted continuous attention because of its stable helical rod structure and its wide application, it has a unique π-conjugated s ...

作者： Liu Jia¹;Liu Yi¹;Zhang Shaowen¹; （¹School of Chemistry and Chemical Engineering, Beijing Institute of Technology）

出处： E3S Web of Conferences 2023 Vol.406 P2018

摘要： Polyisocyanide has attracted continuous attention because of its stable helical rod structure and its wide application, it has a unique π-conjugated s ...

作者： Shu,Yao¹²;Xiong,Yongnan¹²;Luo,Xing¹²;Zhang,Zhibo¹²;He,Jiazhen¹²;Yin,Cuicui¹²;Ding,Xiaoyong³;Zhang,Shaowen⁴;Zheng,Kaihong¹²; （¹Institute of New Materials, Guangdong Academy of Science, Guangzhou, 510651, Guangdong, China;²Guangdong Provincial Key Laboratory of Metal Toughening Technology and Application, Guangzhou, 510651, Guangdong, China;³School of Chemistry and Environmental Engineering, Sichuan University of Science and Engineering, Zigong, 643000, Sichuan, China;⁴School of Chemistry and Chemical Engineering, Key Laboratory of Cluster Science of Ministry of Education, Beijing Institute of Technology, South Zhongguancun Street #5, Haidian District, Beijing, 100081, China）

出处： Physica B: Condensed Matter 2022 Vol.625

摘要： The first principles method was utilized to study the interfacial properties of the TiB2 reinforced copper matrix materials. The interfacial stabiliti ...

作者： Shu, Yao^1,2;Zhang, Shaowen³;Xiong, Yongnan^1,2;Luo, Xing^1,2;He, Jiazhen^1,2;Yin, Cuicui^1,2;Ding, Xiaoyong⁴;Zheng, Kaihong^1,2; （¹ Guangdong Acad Sci, Inst New Mat, Guangzhou 510651, Peoples R China. ;² Guangdong Prov Key Lab Met Toughening Technol & A, Guangzhou 510651, Peoples R China. ;³ Beijing Inst Technol, Sch Chem & Chem Engn, Key Lab Cluster Sci, Minist Educ, Beijing 100081, Peoples R China. ;⁴ Sichuan Univ Sci & Engn, Sch Chem & Environm Engn, Zigong 643000, Peoples R China.）

出处： CRYSTALS 2022 Vol.12 No.1

关键词： ELECTRICAL-CONDUCTIVITY; COMPOSITE COATINGS; CU; MICROSTRUCTURE; BEHAVIOR; VOLUME; WEAR; 1ST-PRINCIPLES; DEFORMATION; FABRICATION

摘要： The interfacial mechanics and electrical properties of SiC reinforced copper matrix composites were studied via the first principles method. The work ...

作者： Sun Cuihong¹;Lyu Liqiang¹;Liu Ying¹;Wang Yan¹;Yang Jing¹;Zhang Shaowen²; （¹ Shijiazhuang Univ, Coll Chem Engn, Shijiazhuang 050035, Hebei, Peoples R China. ;² Beijing Inst Technol, Sch Chem & Chem Engn, Beijing 100081, Peoples R China.）

出处： CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 2022 Vol.43 No.2

关键词： GAS-PHASE REACTIONS; ORGANIC NITRATES; ALKYL NITRATES; ATMOSPHERIC DEGRADATION; RATE COEFFICIENTS; BUTYL NITRATES; N-PROPYL; CHEMISTRY; EXPLANATION; ABSTRACTION

摘要： The reaction mechanism of (CH3), CHONO2, with X(X=Cl, OH and NO3, radical) was studied at M06-2X/6-311++G (d, p) level of theory, and the energy of th ...