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Effects of isoprene on the ozonolysis of△^(3)-carene andβ-caryophyllene:Mechanisms of secondary organic aerosol formation and cross-dimerization
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作者 Zhaoyan Zhang Yingqi Zhao +8 位作者 Ya Zhao Xiangyu Zang Hua Xie Jiayue Yang Weiqing Zhang Guorong Wu Gang Li Xueming Yang Ling Jiang 《Journal of Environmental Sciences》 2025年第4期556-570,共15页
Elucidating the mutual effects between the different volatile organic compounds(VOCs)is crucial for comprehending the formation mechanism of atmospheric secondary organic aerosols(SOA).Here,the mixed VOCs experiments ... Elucidating the mutual effects between the different volatile organic compounds(VOCs)is crucial for comprehending the formation mechanism of atmospheric secondary organic aerosols(SOA).Here,the mixed VOCs experiments of isoprene and△^(3)-carene/β-caryophyllene were carried out in the presence of O_(3)using an indoor smog chamber.The suppression effect of isoprene was recognized by the scanning mobility particle sizer spectrometer,online vacuum ultraviolet free electron laser(VUV-FEL)photoionization aerosol mass spectrometry,and quantum chemical calculations.The results indicate that the suppression effect of isoprene on the ozonolysis of△^(3)-carene andβ-caryophyllene shows fluctuating and monotonous trends,respectively.The carbon content of the precursor could be themain factor for regulating the strength of the suppression effect.Plausible structures and formation mechanisms of several new products generated from the single VOC precursor and VOC-cross-reaction are proposed,which enrich the category of VOC oxidation products.Meanwhile,a new dimerization mechanism of the RO_(2)+R’O_(2)reaction is suggested,which offers an intriguing perspective on the gas phase formation process of particle phase accretion products.The present findings provide valuable insights into clarifying the pivotal roles played by isoprene in the interplay between different VOCs and understanding of SOA formation mechanisms of VOC mixtures,especially nearby the emission origins. 展开更多
关键词 Secondary organic aerosol △^(3)-Carene andβ-caryophyllene OZONOLYSIS cross reaction ISOPRENE
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Cu(OAc)_2 catalyzed Sonogashira cross-coupling reaction in amines 被引量:8
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作者 Sheng Mei Guo Chen Liang Deng Jin Heng Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2007年第1期13-16,共4页
A simple Cu(OAc)2 catalyzed Sonogashira coupling protocol is presented. It was found that the couplings of a variety of aryl halides with terminal alkynes were conducted smoothly to afford the corresponding desired ... A simple Cu(OAc)2 catalyzed Sonogashira coupling protocol is presented. It was found that the couplings of a variety of aryl halides with terminal alkynes were conducted smoothly to afford the corresponding desired products in moderate to excellent yields, using Cu(OAc)2 as the catalyst and Et3N as the solvent. 展开更多
关键词 Cu(OAc)2 Sonogashira cross-coupling reaction Aryl halide ALKYNE
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Ligand assisted copper-catalyzed Ullmann cross coupling reaction of bromaminic acid with amines 被引量:3
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作者 Beibei Shao Hongying Du +3 位作者 Xinyu Hao Rongwen Lu Yi Luo Shufen Zhang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2016年第8期1000-1006,共7页
Three types of ligands have been developed for copper-catalyzed Ullmann cross coupling reaction of bromaminic acid with amines in aqueous solution. Ligands with large steric hindrance and strong electron-donating capa... Three types of ligands have been developed for copper-catalyzed Ullmann cross coupling reaction of bromaminic acid with amines in aqueous solution. Ligands with large steric hindrance and strong electron-donating capacity were beneficial to the reaction. UV–Vis and CV analyses demonstrated that these ligands had strong coordination with copper(I), implying the effect of ligand coordination ability on the stability and catalytic activity of catalytic system. 展开更多
关键词 Bromaminic ACID ULLMANN cross coupling reaction LIGAND Copper CATALYSIS
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Measurement of ^(232)Th(n,2n)^(231)Th reaction cross-sections at neutron energies of 14.1 MeV and 14.8 MeV using neutron activation method 被引量:3
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作者 兰长林 解保林 +2 位作者 张凯 彭猛 方开洪 《Nuclear Science and Techniques》 SCIE CAS CSCD 2015年第6期100-103,共4页
In this study, the activation cross-sections were measured for ^(232)Th(n,2n)^(231)Th reactions at neutron energies of 14.1 and 14.8 MeV, which were produced by a neutron generator through a T(d,n)~4He reaction. Induc... In this study, the activation cross-sections were measured for ^(232)Th(n,2n)^(231)Th reactions at neutron energies of 14.1 and 14.8 MeV, which were produced by a neutron generator through a T(d,n)~4He reaction. Induced gamma-ray activities were measured using a low background gamma ray spectrometer equipped with a high resolution HPGe detector. In the cross-section calculations, corrections were made regarding the effects of gamma-ray attenuation, dead-time, fluctuation of the neutron flux, and low energy neutrons. The measured cross-sections were compared with the literature data, evaluation data(ENDF-B/VII.1, JENDL-4.0 and CENDL-3.1), and the results of the model calculation(TALYS1.6). 展开更多
关键词 中子能量 反应截面 MEV 中子活化法 测量 HPGE探测器 中子发生器 高分辨率
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Palladium-phosphinous acid complexes catalyzed Suzuki cross-coupling reaction of heteroaryl bromides with phenylboronic acid in water/alcoholic solvents 被引量:1
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作者 Ben Li Cuiping Wang +1 位作者 Guang Chen Zhiqiang Zhang 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2013年第6期1083-1088,共6页
Highly active, air-stable and water-soluble palladium-phosphinous acid complexes have been applied to Suzuki cross-coupling reaction of heteroaryl bromides under mild conditions in water/alcoholic solvents. Suzuki cro... Highly active, air-stable and water-soluble palladium-phosphinous acid complexes have been applied to Suzuki cross-coupling reaction of heteroaryl bromides under mild conditions in water/alcoholic solvents. Suzuki cross-coupling reaction of heteroaryl bromides with phenylboronic acid occurred efficiently using palladium phosphinous acid complexes (POPd) and phase transfer catalyst (tetrabutylammonium bromide and polyethylene glycol) in water/ethanol mixture, water/propanol mixture and neat water respectively, the corresponding yields of cross-coupling heteroaryl-aryls were satisfied. The tert-butyl substituted ligand di-tert-butylphosphino in combination with POPd was found to be more active than the same family derived catalysts dipalladium complexes POPdl and POPd2, and other two kinds of Pd-catalysts Pd(PPh3)4 and Pd2(dba)3. The mechanism of Suzuki cross-coupling reaction between heteroaryl bromides and phenylboronic acid in water was proposed with respect to the key role of phase transfer catalyst on the transmetallation step. Compared with other solid phase transfer catalysts, TBAB was tested as the ideal one. The alkalinity of base and the molar proportion between POPd and TBAB were investigated in water and alcoholic solvents. Notably, in the presence of TBAB adding alcoholic solvents into water enhanced the yields of target products. However in terms of the liquid phase transfer catalyst of PEGs, mixing water into PEGs could slightly decrease the yields with respect to the water free PEGs bulk phase, which was probably due to the homogenous liquid conditions in pure PEGs and weak interactions between PEGs and heteroaryl bromide molecules in water depending on their molecular chain lengths. 展开更多
关键词 POPd Suzuki cross-coupling reaction heteroaryl bromides phase transfer catalyst WATER
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Polybinaphthyls of (R)-3,3′-Diiodo-2,2′-binaphtho-20-crown-6 with p-Divinylbenzene via Heck Cross-coupling Reaction 被引量:1
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作者 LIU Tian dong CHENG Yi xiang YANG Xiao liang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2003年第2期235-237,共3页
The present paper deals with the polymerization of ( R ) 3,3′ diiodo 2,2′ binaphtho 20 crown 6 with \{ p divinylbenzene\} under Heck coupling reaction condition. Both the monomers and the polymer were analyzed by NM... The present paper deals with the polymerization of ( R ) 3,3′ diiodo 2,2′ binaphtho 20 crown 6 with \{ p divinylbenzene\} under Heck coupling reaction condition. Both the monomers and the polymer were analyzed by NMR, FTIR, UV, CD, fluorescent spectroscopy, polarimetry, GPC and elemental analysis. The polymer can emit a strong blue fluorescence and is expected to have the potential application in the polarized blue light emitting sensors. The chiral conjugated polymer exhibits a strong Cotton effect in its Circular Dichroism(CD ) spectrum, indicating the high rigidity of the polymer backbone. 展开更多
关键词 (R)-BINOL Chiral conjugated polymer Heck cross-coupling reaction
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Efficient synthesis of 4-substituted pyrazole via microwave-promoted Suzuki cross-coupling reaction 被引量:1
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作者 Hua Cheng Qiong-You Wu +1 位作者 Fan Han Guang-Fu Yang 《Chinese Chemical Letters》 SCIE CAS CSCD 2014年第5期705-709,共5页
Pyrazoles and their derivatives are important heterocycles found in nature and present in numerous bioactive compounds.In contrast to 3 or 5-aryl pyrazole,the preparation of 4-aryl pyrazole is fairly rare.Utilizing mi... Pyrazoles and their derivatives are important heterocycles found in nature and present in numerous bioactive compounds.In contrast to 3 or 5-aryl pyrazole,the preparation of 4-aryl pyrazole is fairly rare.Utilizing microwave irradiation,the synthesis of 4-substituted-arylpyrazole via Suzuki cross-coupling has been developed with a wide range of substrates.The remarkable advantages of this method are mild reaction conditions,simple operation,high yield,and short reaction time.Product structures were identified by MS 1H NMR 13C NMR,and elemental analysis. 展开更多
关键词 4-Aryl pyrazoles Suzuki cross-coupling reactions 4-Iodo-1-methyl-1H-pyrazole Microwave irradiation
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Cross-Reaction between Gliadin and Different Food and Tissue Antigens
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作者 Aristo Vojdani Igal Tarash 《Food and Nutrition Sciences》 2013年第1期20-32,共13页
A subgroup of coeliac disease patients continues to experience symptoms even on a gluten-free diet (GFD). We attempted to determine whether these symptoms could be due to either cross-contamination with gluten-contain... A subgroup of coeliac disease patients continues to experience symptoms even on a gluten-free diet (GFD). We attempted to determine whether these symptoms could be due to either cross-contamination with gluten-containing foods or cross-reactivity between α-gliadin and non-gluten foods consumed on a GFD. We measured the reactivity of affinity-purified polyclonal and monoclonal α-gliadin 33-mer peptide antibodies against gliadin and additional food antigens commonly consumed by patients on a GFD using ELISA and dot-blot. We also examined the immune reactivity of these antibodies with various tissue antigens. We observed significant immune reactivity when these antibodies were applied to cow’s milk, milk chocolate, milk butyrophilin, whey protein, casein, yeast, oats, corn, millet, instant coffee and rice. To investigate whether there was cross-reactivity between α-gliadin antibody and different tissue antigens, we measured the degree to which this antibody bound to these antigens. The most significant binding occurred with asialoganglioside, hepatocyte, glutamic acid decarboxylase 65, adrenal 21-hydroxylase, and various neural antigens. The specificity of anti-α-gliadin binding to different food and tissue antigens was demonstrated by absorption and inhibition studies. We also observed significant cross-reactivity between α-gliadin 33-mer and various food antigens, but some of these reactions were associated with the contamination of non-gluten foods with traces of gluten. The consumption of cross-reactive foods as well as gluten-contaminated foods may be responsible for the continuing symptoms presented by a subgroup of patients with coeliac disease. The lack of response of some CD patients may also be due to antibody cross-reactivity with non-gliadin foods. These should then be treated as gluten-like peptides and should also be excluded from the diet when the GFD seems to fail. 展开更多
关键词 cross-reaction GLIADIN FOOD ANTIGENS Tissue ANTIGENS CELIAC Disease GLUTEN-FREE Diet
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Cross-section measurement of(n,2n) reactions for Nd isotopes induced by 14 MeV neutrons 被引量:1
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作者 Qiang Wang Bing-Jun Chen +3 位作者 Qian Zhang Si-Min Cai Chang-Lin Lan Kai-Hong Fang 《Nuclear Science and Techniques》 SCIE CAS CSCD 2019年第1期67-72,共6页
Cross-sections of the(n,2n) reactions for neodymium(Nd) isotopes induced by 14 MeV neutrons were measured in this work by using the activation and relative methods. The measured cross-sections of the ^(150)Nd(n,2n)^(1... Cross-sections of the(n,2n) reactions for neodymium(Nd) isotopes induced by 14 MeV neutrons were measured in this work by using the activation and relative methods. The measured cross-sections of the ^(150)Nd(n,2n)^(149)Nd,^(148)Nd(n,2n)^(147)Nd, and ^(142)Nd(n,2 n)^(141)Nd reactions were 1854 ± 81, 1789 ± 119, and 1559 ± 98 mb, respectively, at a neutron energy of 14.2 ± 0.2 MeV,and 1485 ± 74, 1726 ± 85, and 1670 ± 119 mb, respectively, at 14.9 ± 0.2 MeV. The results were compared with the experimental values from the reported literature, with the evaluated data from the ENDF/B-VII.1, CENDL-3.1, and JENDL-4.0 libraries, and with the curves calculated by the Talys-1.8 code. 展开更多
关键词 cross-SECTION NEODYMIUM (n 2n)reaction Activation method 14 MEV NEUTRON
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Hyperstatic reaction method for calculations of tunnels with horseshoe-shaped cross-section under the impact of earthquakes 被引量:1
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作者 Thanh Nguyen Chi Gospodarikov Alexandr 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2020年第1期179-188,共10页
Tunnels are now an integral part of the infrastructure in major cities around the world. For many reasons, these tunnels have horseshoe-shaped cross-sections with round top and flat bottom. This paper presents some im... Tunnels are now an integral part of the infrastructure in major cities around the world. For many reasons, these tunnels have horseshoe-shaped cross-sections with round top and flat bottom. This paper presents some improvements to the use of the Hyperstatic Reaction Method-HRM for analysing tunnels with horseshoe-shaped cross-sections when these tunnels operate under the influence of earthquakes, particularly in cases when the tunnel lining is a continuous lining. The analysis used parameters of a tunnel from the Hanoi metro system, as well as parameters of the strongest earthquake that may occur in the central Hanoi area in the improved HRM and 2 D numerical methods using the ABAQUS software. On the basis of the results obtained, the paper gives conclusions about the HRM methodology when it is used to calculate tunnels that have horseshoe cross-sections operating under the influence of earthquakes. 展开更多
关键词 hyperstatic reaction method earthquake horseshoe cross-section impact tunnel
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Activation cross sections for reactions induced by 14 MeV neutrons on natural copper
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作者 Jing-Jie Ma Feng-Qun Zhou +2 位作者 Xiao-Jun Sun Xiao-Peng Zhang Shu-Qing Yuan 《Nuclear Science and Techniques》 SCIE CAS CSCD 2018年第10期254-260,共7页
The cross sections for the^(63)Cu(n,a)^(60(m+g))Co,^(65)Cu(n,2 n)^(64)Cu, and ^(65)Cu(n,p)^(65)Ni reactions have been studied in the neutron energy range of 13.5–14.8 MeV using the activation technique. The neutron b... The cross sections for the^(63)Cu(n,a)^(60(m+g))Co,^(65)Cu(n,2 n)^(64)Cu, and ^(65)Cu(n,p)^(65)Ni reactions have been studied in the neutron energy range of 13.5–14.8 MeV using the activation technique. The neutron beams were produced via the^3 H(d,n)~4 He reaction. The neutron energies of different directions in the measurements were determined beforehand by the method of cross section ratios for the^(90)Zr(n,2 n)^(89 m+g)Zr and ^(93)Nb(n,2 n)^(92 m)Nb reactions. The results in the present work were discussed and compared with measurement results found in the literatures. 展开更多
关键词 COPPER ACTIVATION NEUTRON cross section Nuclear reaction
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Reaction cross section studies of ^(12)C using the modified Glauber model in conjunction with nonlinear relativistic mean-field theory
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作者 FUKUDA Mitsunori FAN Guangwei +7 位作者 AN Zhendong CAI Xiaolu FAN Gongtao HUANG Bosong LI Yongjiang XU Benji YAN Zhe XU Wang 《Nuclear Science and Techniques》 SCIE CAS CSCD 2012年第5期312-316,共5页
We studied the structure of 12 C through the modified Glauber model using the density distributions calculated by the relativistic mean field theory. The experimental reaction cross sections of 12 C + 12 C were analyz... We studied the structure of 12 C through the modified Glauber model using the density distributions calculated by the relativistic mean field theory. The experimental reaction cross sections of 12 C + 12 C were analyzed within the MOL by a χ 2 -fitting procedure. The effects of the nuclear deformation on the reaction cross sections are studied. The reliable structure of 12 C is deduced. The studies show that the conjunction of these two models will be a more effective tool to study the properties of nuclei. 展开更多
关键词 GLAUBER模型 相对论平均场理论 核反应总截面 非线性 密度分布 反应截面 拟合程序 截面变形
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A method of analysing experimental data of nuclear reaction cross sections
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作者 FengJun ShenWen-Qing 《Nuclear Science and Techniques》 SCIE CAS CSCD 1997年第1期10-13,共4页
AmethodofanalysingexperimentaldataofnuclearreactioncrossectionsFengJunandShenWenQing(ShanghaiInstituteofNucl... AmethodofanalysingexperimentaldataofnuclearreactioncrossectionsFengJunandShenWenQing(ShanghaiInstituteofNuclearResearch,the... 展开更多
关键词 原子核反应截面 实验数据 分析方法
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Calculation of Reactions Cross Section for Neutron-Induced Reactions on <sup>127</sup>I Isotope
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作者 Idris Ahmad Fatima Salman Koki 《International Journal of Medical Physics, Clinical Engineering and Radiation Oncology》 2017年第3期344-359,共16页
In this work, the reaction cross-section for neutron-induced reactions on 127I isotope was calculated using EXIFON code in the energy range of incident particle from 0 MeV to 30 MeV. The code is based on an analytical... In this work, the reaction cross-section for neutron-induced reactions on 127I isotope was calculated using EXIFON code in the energy range of incident particle from 0 MeV to 30 MeV. The code is based on an analytical model for statistical multistep direct and multistep compound reactions (SMD/SMC model). In order to see the effect of nuclear structure on cross sections, the calculation was done using nuclear shell structure effect and without considering shell structure effect. Obtained results and statistical analysis showed that shell structure effect does not give significant changes to the cross-section at considered energy ranges. This shows that EXIFON code is a good tool for investigation of nuclear reaction cross section and is useful in the production of the radioisotopes of Iodine, Antimony and tellurium of high purity and in an efficient manner using cyclotron or nuclear reactors, these isotopes have potential application for field of medical science especially for diagnostics and therapeutic purposes. 展开更多
关键词 NUCLEAR reaction cross-SECTION Excitation Function RADIOISOTOPE Statistical MULTISTEP reaction NUCLEAR Model
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Statistical significance of non-reproducibility of cross sections measured in dissipative reactions ^(19)F+^(93)Nb
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作者 DONGYu-Chuan WANGQi +7 位作者 LISong-Lin TIANWen-Dong LIZhi-Chang ZHAOKui FUChang-Bo LIUJian-Cheng JIANGHua HUGui-Qing 《Nuclear Science and Techniques》 SCIE CAS CSCD 2004年第4期193-199,共7页
Two independent measurements of cross sections for the 19F+93Nb dissipative heavy-ion collision (DHIC) have been performed at incident energies from 100 to 108 MeV in steps of 250 keV. Two independently prepared targe... Two independent measurements of cross sections for the 19F+93Nb dissipative heavy-ion collision (DHIC) have been performed at incident energies from 100 to 108 MeV in steps of 250 keV. Two independently prepared targets were used respectively with all other experimental conditions being identical in both experiments. The data indicate non-reproducibility of the non-self-averaging oscillation yields in the two measurements. The statistical analysis of this non-reproducibility supports recent theoretical predictions of spontaneous coherence, slow phase randomization and extreme sensitivity in highly excited quantum many-body systems. 展开更多
关键词 核反应截面 激励函数 概率分布 不可重现性 耗散重离子碰撞
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Formation cross sections of nuclei with (n,2n) reactions
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作者 ChenXue-Shi ZhouMu-Yao 《Nuclear Science and Techniques》 SCIE CAS CSCD 1997年第1期26-29,共4页
Formationcrossectionsofnucleiwith(n,2n)reactionsChenXueShi,XieKuanZhong,ZhouShengMo,YanQingQuan(ShanghaiInst... Formationcrossectionsofnucleiwith(n,2n)reactionsChenXueShi,XieKuanZhong,ZhouShengMo,YanQingQuan(ShanghaiInstituteofNucle... 展开更多
关键词 聚变-裂变反应堆 (n 2n)反应 截面公式
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Systematics of Isomeric Cross Section Ratio for(n,t)Reaction at 14.6 MeV
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作者 Huang, Xiaolong Cai, Dunjiu 《Chinese journal of nuclear physics》 EI 1994年第1期61-66,共6页
On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae... On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae to theavailable measured data,parameters are obtained and the systematic behaviour of theisomeric cross section ratio are studied.The isomeric cross section ratio predicted by thepresent work is in good agreement with the limited measured data. 展开更多
关键词 (n.t)reaction Isomeric cross SECTION ratio SYSTEMATICS
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Measurement of Double Differential Cross Section for ^(93)Nb(n,xp) Reaction at E_n=14.6 MeV
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作者 Ye Bangjiao Fan Yangmei Wang Zhongmin Han Rongdian(Department of Modern Physics,University of Science and Technology of China,Hefei 230026)Xiao Zhenxi(Institute of Management,University of Science and Technology of China,Beijing 100080) 《Chinese journal of nuclear physics》 1994年第2期120-126,共7页
-The energy spectrum and angular distributions of protons from <sup>93</sup>Nb(n,xp)reactions are measured by means of the USTC(University of Science and Technologyof China)multitelescope system.The to... -The energy spectrum and angular distributions of protons from <sup>93</sup>Nb(n,xp)reactions are measured by means of the USTC(University of Science and Technologyof China)multitelescope system.The total proton production cross sections are in fairagreement with the results of other groups.The energy spectrum is well explained by thesum of the spectra calculated on the basis of the preequilibrium and the H-F theories.Deviations from the previous measurement at the high energy end of the angle-inte-grated proton spectrum are found.The angular distributions which show a stronglyenergy-dependent forward-backward asymmetry are in fair agreement with thephenomenological model of Kalbach-Mann. 展开更多
关键词 Double differential cross SECTION NEUTRON induced reaction Preequilibrium
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Empirical Neutron Cross Section Formulae for (n, p) and (n, d) Reactions of He-3 Target
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作者 Amir M. Alramady 《Journal of Applied Mathematics and Physics》 2021年第7期1434-1441,共8页
In this work, new cross section formulae for (n, p) and (n, d) reactions of He-3 have been investigated as a function of incident neutron energy. The new Empirical formulae were produced by using the least squares met... In this work, new cross section formulae for (n, p) and (n, d) reactions of He-3 have been investigated as a function of incident neutron energy. The new Empirical formulae were produced by using the least squares method to the experimental cross sections data, which were taken from Experimental Nuclear Reaction Data EXFOR Database Version of 2021. Several functions were examined to choose the best one that fits the data. Statistical hypothesis testing was used to insure how well the suggested equations fit the set of data. Two statistical indicators were used for each case for goodness-of-fit. Very high compatibility was found between the empirical values and the experimental data for both reactions. 展开更多
关键词 Empirical cross Section Formula (n p) reaction (n p) reaction and Goodness-of-Fit
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Theoretical Studies of O(^1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction
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作者 李亚民 解智敏 党琼 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第3期310-312,I0001,I0002,共5页
The quasi-classical trajectory calculation for the reaction O(^1D)+HD is carried out based on the Dobbyn and Knowles potential energy surface. In this work, the reaction cross section and product branching ratio ar... The quasi-classical trajectory calculation for the reaction O(^1D)+HD is carried out based on the Dobbyn and Knowles potential energy surface. In this work, the reaction cross section and product branching ratio are obtained. The product branching ratio OD/OH was discussed. The calculated results show that the cross-section decreases thoroughly with the increasing of the collision energy from 4.6 kJ/mol to 46.0 kJ/mol. The average branching ratio decrease with the increase of rotational quantum number of reactant HD. 展开更多
关键词 Quasi-classical trajectory reaction cross section Branching ratio
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