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SPECTRA: 作品数：1142被引量：1445H指数：13; 导出分析报告; 相关领域：理学更多>>; 相关作者：杨世学刘宇明何荣幸胡超陈颖更多>>; 相关机构：中国科学院广州海洋地质调查局东南大学上海交通大学更多>>; 相关期刊：更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家高技术研究发展计划更多>>

Unraveling the Dynamic Structural Evolution of Phthalocyanine Catalysts during CO_(2) Electroreduction被引量：4: 《Chinese Journal of Structural Chemistry》2022年第10期82-88,共7页Jianing Mao Bingbao Mei Ji Li Shuai Yang Fanfei Sun Siyu Lu Wei Chen Fei Song Zheng Jiang; supported by the National Natural Science Foundation of China (U1732267);Shanghai Science and Technology Development Funds (22YF1454500);Photon Science Center for Carbon Neutrality and Low-Carbon Conversion Science and Engineering Center。; Understanding the atomic and electronic changes of active sites promotes the whole new sight into electrochemical carbon dioxide reduction reaction(CO_(2)RR),which provides a feasible strategy to achieve carbon neutra...; 关键词：CO_(2)electrochemical reduction HERFD-XAS model catalysts difference spectra structural evolution

Crystal Structures, Terahertz Spectra and Dye Adsorption Performance of Three Lanthanide-bisphosphonate Complexes Containing Keggin Polyoxometalates被引量：2: 《Chinese Journal of Structural Chemistry》2021年第5期615-624,529,共11页WANG Zhi-Qiang PAN Xun LU Yan-Lei LI Ying-Yu YANG Yu-Ping XIN Xiu-Lan JIN Qiong-Hua; supported by the National Natural Science Foundation of China(Nos.21171119 and 11574408);the Beijing Municipal Natural Science Foundation(Nos.2172017 and 2172012)。; Three lanthanide complexes [LnL_(3)(H_(2)O)]PMo_(12)O_(40)·CH_(3)CN(Ln = Dy^(3+) for 1, Ln = Ho^(3+) for 2, Ln = Lu^(3+) for 3, L = tetraethyl ethylenediphosphonate) have been synthesized, and characterized by single...; 关键词：lanthanide complexes POMS tetraethyl ethylenediphosphonate structure terahertz time-domain spectroscopy(THz-TDS)

Synthesis, Crystal Structure, Thermal Stability and Solid UV-Vis Absorption Spectra of One New Copper(Ⅱ) Coordination Polymer被引量：1: 《Chinese Journal of Structural Chemistry》2019年第9期1537-1542,共6页XUE Li-Ping; supported by the National Natural Science Foundation of China(21401097); A new coordination polymer [Cu2(OH)(nbta)(tib)(H2 O)2]n(1, H3 nbta = 5-nitro-1,2,3-benzenetricarboxylic acid, tib = 1-(4 H-1,2,4-triazol-4-yl)-4-(imidazol-1-yl)benzene) constructed from dimeric Cu(Ⅱ) units has been s...; 关键词：COPPER COORDINATION polymer crystal structure TOPOLOGY UV–Vis absorption SPECTRA

Synthesis, Crystal Structure and DNA-Binding Property of a Mn(Ⅱ) Complex Based on 5-(Tri-fluoromethyl)pyridine-2-carboxylic Acid被引量：4: 《Chinese Journal of Structural Chemistry》2019年第8期1349-1355,共7页WANG Jia-Kai LI Bing WU Huan-Ping TIAN Xiao-Yan MA Xiao-Xia; Supported by the Scientific Research Foundation of Higher Education Institutions of Ningxia(No.NGY2017004);the National Natural Science Foundation of China(Nos.21763022 and 50564043);the Major Innovation Projects for Building First-class Universities in China’s Western Region(No.ZKZD2017003); A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic ...; 关键词：5-(trifluoromethyl)pyridine-2-carboxylic acid crystal structure DNA fluorescence SPECTRA

Study on the Physical and Dissociation Properties of Disulfur Dichloride under Electric Fields被引量：2: 《Chinese Journal of Structural Chemistry》2019年第8期1241-1250,共10页QU Ying-Fei LIU Yu-Zhu YINWen-Yi ZHANG Qi-Hang ABULIMITI Bumaliya; supported by the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province(No.18KJA140002);National Natural Science Foundation of China(Nos.11564040,21763027);Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.KYCX18_1015);College Students’ Practice Innovation Training Program of Nuist(No.201810300033Z); Disulfur dichloride is a hazardous substance, which is irritating to the eyes. It is significant to study the physical and dissociation properties under external electric fields. The bond length, energy, dipole moment...; 关键词：disulfur DICHLORIDE DENSITY FUNCTIONAL theory EXTERNAL electric field SPECTRA DISSOCIATION

Different Behaviors of ACE Inhibitor Tripeptide Ile-Ile-Pro in Aqueous and DMSO Solutions by All-Atom MD Simulations and 2D-NOESY Spectra: 《Chinese Journal of Structural Chemistry》2019年第5期679-687,667,共10页ZHANG Rong QI Chun-Yan YAN Wen-Li HUANG Guo-Dong WU Wen-Juan; Supported by the National Natural Science Foundation of China(No.20903026);the Talents Introduction Foundation for Universities of Guangdong Province(2011);Scientific Research Foundation of the Natural Science Foundation of Guangdong Province(No.S2011010002483); All-atom molecular dynamic simulations and 2D-NOESY spectra were used to study the conformations and hydrogen bonds of ACE inhibitory tripeptide Ile-Ile-Pro(IIP) in aqueous and DMSO solutions. RMSD, Dis, Rg and SASA w...; 关键词：molecular dynamic simulation IIP 2D-NOESY SPECTRA AQUEOUS SOLUTION DMSO SOLUTION

Molecular Spectra and Dissociation Dynamics of Oxalyl Chloride: Effect of External Electrical Fields被引量：2: 《Chinese Journal of Structural Chemistry》2019年第4期499-508,共10页YIN Wen-Yi LIU Yu-Zhu ZHOU Feng-Bin BUMALIYA Abulimiti; This project was supported by the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province of China(No.18KJA140002);National Natural Science Foundation of China(Nos.11564040,21763027);Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.KYCX18_1015);Undergraduate Training Program for Innovation and Entrepreneurship(Nos.201710762008,201710762055); Oxalyl chloride is a highly toxic and caustic substance, which widely exists in human production and life as a kind of volatile organic compound. Based on the density functional theory B3 LYP at 6-311++G(d, p) level, ...; 关键词：oxalyl CHLORIDE SPECTRA electric field DENSITY FUNCTIONAL theory DEGRADATION

Absorption Spectra Calculation of Torus-type C_(120) and Its Nitrogen Doped Derivatives: 《Chinese Journal of Structural Chemistry》2019年第3期434-438,共5页FAN Guang ZHOU Cai-Hua XIE Ru-Yu; supported by the Science Foundation of Shaan’xi Province(No.2018JM2033);Shaan’xi Provincial Education Department Project(No.18JK0836);Undergraduate Training Programs for Innovation(No.201828004);the Teaching Reform Project(No.2017Y007); The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-...; 关键词：torus-type C120 photodynamic therapy ABSORPTION SPECTRA

Absorption and Emission Spectra of p-Phenylbenzoyl Methanthiol: Methanol Effect Based on M06-2X Calculations被引量：1: 《Chinese Journal of Structural Chemistry》2019年第3期476-482,共7页CHENG Xue-Li; jointly supported by the National Natural Science Foundation of China(Nos.21502136 and 51702228);the Natural Science Foundation of Shandong Province(ZR2017LB010);the Scientific Research Initial Foundation for Introduction of Talent of Taishan University(Y-01-2013010); The absorption and emission spectra, as well as the photolysis mechanism of p-phenylbenzoyl methanthiol in methanol and in gas phase were elucidated in detail based on the molecular structures of the ground states, ex...; 关键词：TD-M062X PHOTODECOMPOSITION CIS absorption SPECTRA

Synthesis, Structure and Spectra Properties of a Novel BOIMPY Compound: 《Chinese Journal of Structural Chemistry》2018年第6期899-904,共6页李拓徐兰尹振明; supported by the National Natural Science Foundation of China(No.21172174); A bis-2-iminopyrrole compound（1） and its difluoroboron complex（2） were synthesized and characterized. The crystal of 2 is in the monoclinic system, P2_1/n space group with a = 21.5113（15）, b = 6.3036（3）, c = 2...; 关键词：BOIMPY crystal structure UV-Vis and fluorescence spectra

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