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^(13)C NMR and structural study of solid state naphthol-1 and naphthol-2 arylazo-derivatives
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作者 FEDOROV L.A. +3 位作者 REBROV A.I. REBROV A.I. 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1991年第3期245-250,共0页
Solid state ^(13)C NMR spectra of a series of naphthol-1 and naphthol-2-arylazo--deriva- tives were studied and compared with respective results in solutions.Signals of carbon nuclei of naphthalene ring were assigned.... Solid state ^(13)C NMR spectra of a series of naphthol-1 and naphthol-2-arylazo--deriva- tives were studied and compared with respective results in solutions.Signals of carbon nuclei of naphthalene ring were assigned.Tautomeric forms of compounds were determined.It was shown that 4-(p-NO_2C_6H_4)-azonaphthol-1 and 1-(p-NO_2C_6H_4)-azonaphthol-2 in solid state existed ex- clusively in quinohydrazone form.The other two compounds——1-(C_6F_5)-azonaphthol-2 and 2-(p- CH_3C_6H_4)-azonaphthol-1 in solid state were not found in the form of individual tautomeric mixtures but in respective tautomeric equilibrium form.Thus,during transition from liquid to solid state, the tautomeric equilibrium was practically unchanged.In solid state it was found that rotation around aryl-N bond was hindered in the time scale of NMR spectroscopy. 展开更多
关键词 C NMR and structural study of solid state naphthol-1 and naphthol-2 arylazo-derivatives NMR
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Using of Key Stratum Theory to Study the Structural Development of Roof Aquifer 被引量:2
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作者 CHEN Li ZHANG Fawang +4 位作者 YAO Hongchao HAN Zhantao QIAN Long CHEN Liang JIANG Chengchao 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2015年第6期2091-2091,共1页
During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determ... During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determine the distribution of fractured areas and fissures presents a major problem for preserving the overlying aquifer. 展开更多
关键词 In Using of Key Stratum Theory to study the structural Development of Roof Aquifer
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A STUDY ON THE STRUCTURAL EFFECT OF DOUBLE BRIDGES CONJUGATED SYSTEMS I.CARBONYL-IMINO SYSTEM
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作者 Gui Ying LI cui chen Dai Ming Qian Jiang(M.C.chiang)Institute of chemistry,Academia sinica,Beijing 100080 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第3期197-200,共4页
The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,... The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,but there are three π-π* bands each nt which displays chacactecistics of its own independently.These indicate that the two bridges-carbonyl-and-imino-can block the tlanSmlSSion of the conjngative polarization of the whole system,so as to form three segments,this is verified by means of chemical synthesis and degradation. 展开更多
关键词 CHO A study ON THE structural EFFECT OF DOUBLE BRIDGES CONJUGATED SYSTEMS I.CARBONYL-IMINO SYSTEM CI
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Study of GaAs/GaAlAs Multilayer Structural Materials by Electrolyte Electroreflectance
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作者 Wang, Zhoucheng Peng, Ruiwu Qian, Youhua 《Rare Metals》 SCIE EI CAS CSCD 1990年第2期131-134,共4页
Electrolyte electroreflectance (EER) has been widely employed to investigate the electronic energy band structure and related physical properties of semiconductors. The electrolyte electroreflectance (EER) method comb... Electrolyte electroreflectance (EER) has been widely employed to investigate the electronic energy band structure and related physical properties of semiconductors. The electrolyte electroreflectance (EER) method combined with electrochemical anodic dissolution was used to study GaAs/GaAlAs multilayer structural materials. According to variation of the EER spectra during anodic dissolution the characteristics of GaAs/GaAlAs multilayer structural materials such as properties of the interface, p-n junction positions and Al content profiles were obtained. 展开更多
关键词 GaAs AI EER study of GaAs/GaAlAs Multilayer structural Materials by Electrolyte Electroreflectance
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Numerical study on three-dimensional flow field of continuously rotating detonation in a toroidal chamber 被引量:4
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作者 Xu-Dong Zhang Bao-Chun Fan +2 位作者 Ming-Yue Gui Zhen-Hua Pan Gang Dong 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2012年第1期66-72,共7页
Gaseous detonation propagating in a toroidal chamber was numerically studied for hydrogen/oxygen/nitrogen mixtures. The numerical method used is based on the three-dimensional Euler equations with detailed finiterate ... Gaseous detonation propagating in a toroidal chamber was numerically studied for hydrogen/oxygen/nitrogen mixtures. The numerical method used is based on the three-dimensional Euler equations with detailed finiterate chemistry. The results show that the calculated streak picture is in qualitative agreement with the picture recorded by a high speed streak camera from published literature. The three-dimensional flow field induced by a continuously rotating detonation was visualized and distinctive features of the rotating detonations were clearly depicted. Owing to the unconfined character of detonation wavelet, a deficit of detonation parameters was observed. Due to the effects of wall geometries, the strength of the outside detonation front is stronger than that of the inside portion. The detonation thus propagates with a constant circular velocity. Numerical simulation also shows three-dimensional rotating detonation structures, which display specific feature of the detonation- shock combined wave. Discrete burning gas pockets are formed due to instability of the discontinuity. It is believed that the present study could give an insight into the interest- ing properties of the continuously rotating detonation, and is thus beneficial to the design of continuous detonation propulsion systems. 展开更多
关键词 Continuously rotating detonation - Three- dimensional flow field structure - Numerical study Detonation parameters deficit ~ Effects of wall geometries
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Study on Fine Crustal Structure of the Sanhe-Pinggu Earthquake (M8.0) Region by Deep Seismic Reflection Profiling 被引量:3
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作者 ZhangXiankang ZhaoJinren +7 位作者 LiuGuohua SongWenrong LiuBaojin ZhaoChengbin ChengShuangxi LiuJianda GuMenglin SunZhenguo 《Earthquake Research in China》 2003年第2期122-133,共12页
Two near-vertical deep seismic reflection profiles (140km-long, 24-fold) were completed in the 1679 Sanhe-Pinggu earthquake (M8.0) region. The profiles ran through the Xiadian fault and the Ershilichangshan fault. The... Two near-vertical deep seismic reflection profiles (140km-long, 24-fold) were completed in the 1679 Sanhe-Pinggu earthquake (M8.0) region. The profiles ran through the Xiadian fault and the Ershilichangshan fault. The profiling result shows that the crust in this region is divided into the upper crust, the lower crust and the crust-mantle transitional zone by two powerful laminated reflectors: one at the two-way travel-time of about 7.0s (21km), the other at about 11.0~12.5s (33~37km). Crustal structure varies significantly in vertical direction. The shallow part is characterized by obvious stratification, multilayers and complexity. The upper crust on the whole features reflection “transparency”, while the lower crust features distinct reflectivity. Crustal structure also varies a lot in the lateral direction. The main fracture in this region is the deep fault under the Xiadian fault. This deep fault is steeply inclined (nearly vertical), and is supposed to be the causative fault of the Sanhe-Pinggu M8.0 earthquake. The two profiles respectively reveal the existence of local strong reflectivity in the lower crust and the lower part of the upper crust, which is assumed to be a dike or rock mass formed by the upwelling and cooling down of materials from the upper mantle. Magmatic activity in this part brought about differences in regional stress distribution, which then gave rise to the formation of the deep fault. That is supposed to be the deep structural setting for the Sanhe-Pinggu M8.0 earthquake. 展开更多
关键词 The Sanhe-Pinggu meizoseismal region Deep reflection profiling Fine structure study of earthquake source
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STRUCTURAL STUDIES ON CRYSTALLINE 3,4—POLYISOPRENE
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作者 Hong Fang ZHANG Zhi GONG Fo Song WANG Polymer Physics laboratory,Changchun Institute of Applied Chemistry,Academia Sinica,Changchun,130022 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第6期541-542,共2页
In the paper,the structures of the crystalline 3,4-polyisoprene(3,4-PI) which was first synthesized in our institute,were investigated by using Wide Angle X-ray Diffraction(WAXD);Small Angle X-ray Scattering(SAXS)and ... In the paper,the structures of the crystalline 3,4-polyisoprene(3,4-PI) which was first synthesized in our institute,were investigated by using Wide Angle X-ray Diffraction(WAXD);Small Angle X-ray Scattering(SAXS)and Laue photography in various polymerization conditions and elongate ratios.It was found that reducing reaction velocity was favourable for crystalline capacity.The polymeric structures were dependent mainly on nitrogen electron donor.The degree of crystallinity and long period were increased with elongate ratio,but crystalline size was decreased.The polymers used in the work belong to inhomogeneous particulate system.The particulate radii were between 35-164A. 展开更多
关键词 SAXS WAXD structural STUDIES ON CRYSTALLINE 3 4 POLYISOPRENE
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MOSSBAUER STUDY ON REDUCIBILITY OF SUPPORTED Eu_2O_3
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作者 吴小华 夏元复 +2 位作者 沈俭一 关冰 陈懿 《Nuclear Science and Techniques》 SCIE CAS CSCD 1995年第4期217-221,共5页
The reduction process of Eu2O3 on TiO2 and other supports is investigated in detail by Mossbauer spectroscopy. The reducibility of Eu2O3 is greatly enhanced when it is supported on a surface of support. This is due to... The reduction process of Eu2O3 on TiO2 and other supports is investigated in detail by Mossbauer spectroscopy. The reducibility of Eu2O3 is greatly enhanced when it is supported on a surface of support. This is due to the solid-solid interaction between the oxide and the support. 展开更多
关键词 Mossbauer spectroscopy EU2O3 REDUCIBILITY Supports Solid-solid interaction CATALYSIS Surface science Hyperfine structure study
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STRUCTURAL STUDIES OF AN ARABINOGALACTAN——A WATER SOLUBLE POLYSACCHARIDE FROM THE POLLEN OF PAPAVER SOMNIFERUM
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作者 Feng HE Ping MIAO Sheng JIN Department of Chemistry,Peking University,Beijing 100871 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第6期497-498,共2页
A polysaccharide,PS(1),has been isolated from the pollen of papaver somniferum.PS(1)is a highly branched arabinogalactan,which,mainly contains α—L—arabinofuranosyl(1→)and(3,6→1)— β—D—galactopyranosyl residues... A polysaccharide,PS(1),has been isolated from the pollen of papaver somniferum.PS(1)is a highly branched arabinogalactan,which,mainly contains α—L—arabinofuranosyl(1→)and(3,6→1)— β—D—galactopyranosyl residues.We also studied the circular dichroism and immunoactivity of PS(1). 展开更多
关键词 PS DEAE structural STUDIES OF AN ARABINOGALACTAN A WATER SOLUBLE POLYSACCHARIDE FROM THE POLLEN OF PAPAVER SOMNIFERUM
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Studies on Structural Changes of Collagen in Silicosis
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作者 LIYU-RUI HUXUN 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 1994年第4期302-306,共5页
In order to provide scientific information on the prevention and treatment of silicosis,studies about changes of silicotic collagen in lungs were carried out. In this paper, we present experiments about the structural... In order to provide scientific information on the prevention and treatment of silicosis,studies about changes of silicotic collagen in lungs were carried out. In this paper, we present experiments about the structural changes of collagen in silicotic lungs of rats and patients. These included electron microscopy, circular dichroism and infrared spectroscopy studies of collagen fibers. The results indicated that fibers of silicotic collagen were shorter in length, smaller in diameter and decreased in α-helix content. The -Si-O-R- group and -OH group were found increased and -C-C- backbone shortened. The increase of -Si-O-R-group indicated that silica formed linking bridges between collagens which may be the cause of progressive enlargement of nodules 展开更多
关键词 SI In Studies on structural Changes of Collagen in Silicosis
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INFRARED SPECTROSCOPIC STUDY OF STRUCTURE TRANSITION IN THE PEROVSKITE-TYPE LAYER COMPOUND: (n-C_9H_(19_NH_3)_2CuCl_4
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作者 Ning GUO Guang Fu ZENG Shi QuanⅪ 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第11期883-884,共2页
Infrared spectra of (n-C_9H_(19)NH_3)_2CuCl_4 in three solid phases were investigated. It was found that the phase transition at T_(cl)(25℃) arises from the change of the interaction and packing structure of the chai... Infrared spectra of (n-C_9H_(19)NH_3)_2CuCl_4 in three solid phases were investigated. It was found that the phase transition at T_(cl)(25℃) arises from the change of the interaction and packing structure of the chain. The phase transition at T_(c2)(34℃)is related to the change of a partial conformational order-disorder. The GTC or GTG' and small concentration of TG structure near CH_3 group exist in phase Ⅲ (above 38℃). 展开更多
关键词 NH3 Cl Cu mode n-C9H INFRARED SPECTROSCOPIC study OF STRUCTURE TRANSITION IN THE PEROVSKITE-TYPE LAYER COMPOUND
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STUDY ON THE STRUCTURES OF COORDINATION COMPOUNDS OF N-(ortho-METHYL)-AND N-(ortho-METHOXY)-PHENYL IMINODIACETATO-Cu(Ⅱ)
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作者 Yun Ti CHEN Heng Qian LIU Jing Jiang LIU Xian He BU (Department of Chemistry,Nankai University,Tianjin,300071)Jin Ling WANG Li Juan ZHANG Fang Ming MIAO (Department of Chemistry,Tianjin Normal University,Tianjin,300074) 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第4期317-321,共5页
The coordination compounds,{Cu[CH_3C_6H_4N(CH_2COO)_2]}.2H_2O and {Cu[CH_3OC_6H_4N(CH_2COO)_2]}.2H_2O,have been prepared and its crystal struc- tures determined.The final discrepancy factors are R=0.052,R_w=0.061 for ... The coordination compounds,{Cu[CH_3C_6H_4N(CH_2COO)_2]}.2H_2O and {Cu[CH_3OC_6H_4N(CH_2COO)_2]}.2H_2O,have been prepared and its crystal struc- tures determined.The final discrepancy factors are R=0.052,R_w=0.061 for (I)and R=0.052,R_w=0.039 for(Ⅱ).The geometry of the coordination poly- hedron with Cu(Ⅱ)is a distorted tetragonal pyramid for(Ⅰ)and an unsym- metrical and extended tetragonal bipyramid for(Ⅱ),respectively.The re- sults of EHMO calculations indicate that the ligand mainly provided the field with very few of its electrons being coordinated to the central atom. 展开更多
关键词 PHENYL IMINODIACETATO-Cu AND N study ON THE STRUCTURES OF COORDINATION COMPOUNDS OF N ortho-METHOXY ortho-METHYL EHMO
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LOCALIZED INDO STUDY OF THE ELECTRONIC STRUCTURE OF Sc(Sc_6Cl_(12)Co)
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作者 Song GAO Le Min LI Guang Xian XU (Research Center of Rare Earth Chemistry,Peking University,Beijing 100871,P.R.China) 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第2期171-174,共4页
Spin-unrestricted localized INDO method was used to calculate the electronic structure of rare earth cluster Sc(Sc_6Cl_(12)Co).Based on the analysis of the composition of the molecular orbitals and bond orders,it was ... Spin-unrestricted localized INDO method was used to calculate the electronic structure of rare earth cluster Sc(Sc_6Cl_(12)Co).Based on the analysis of the composition of the molecular orbitals and bond orders,it was pointed out that the interstitial transition metal atom Co in the octahedral Sc skeleton forms strong covalent bond with six Sc atoms and the bonding of Sc- Cl is mainly ionic in character.There are nine valence molecular orbitals in the cluster. 展开更多
关键词 INDO LOCALIZED INDO study OF THE ELECTRONIC STRUCTURE OF Sc CO Cl
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A STUDY ON THE STRUCTURE AND PROPERTIES OF POLYBUTYLALDEHYDE FORMED IN LOW TEMPERATURE PLASMA
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作者 刘学恕 姚广 +2 位作者 朱育芬 张光华 刘倩 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 1992年第3期266-269,共4页
The polybutylaldehyde obtained by plasma polymerization was investigated by means of IR, X-ray diffraction, GC-MS, elementary analysis, TEM, electron diffraction and contact angle measurements etc. The results showed ... The polybutylaldehyde obtained by plasma polymerization was investigated by means of IR, X-ray diffraction, GC-MS, elementary analysis, TEM, electron diffraction and contact angle measurements etc. The results showed that the polymer formed in plasma is amorphous crosslinked polymer, and its backbone is made of carbon atoms. The surface energy of the polymer film is independent of the polymerization conditions. No addition reaction has taken place in the carbonyl group of butylaldehyde in the plasma condition. The result of the wettability measurements showed that the polymer film is generally hydrophobic and the surface energy of the film is about 41 dyn/cm, in which the dispersion force contribution is the majority. The electron diffraction proved that some crystal substance, even the single crystals were present in the polymer. X-ray diffraction also proved the presence of crystal and showed about 15% crystaUinity fraction. 展开更多
关键词 GC MS IR FIGURE A study ON THE STRUCTURE AND PROPERTIES OF POLYBUTYLALDEHYDE FORMED IN LOW TEMPERATURE PLASMA
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A Single-Crystal Neutron Diffraction Study on Magnetic Structure of the Quasi-One-Dimensional Antiferromagnet SrCo_2V_2O_8
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作者 刘娟娟 汪晋辰 +4 位作者 罗伟 盛洁明 何长振 S.A.Danilkin 鲍威 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第3期111-114,共4页
The magnetic structure of the spin-chain antiferromagnet SrCo2 V208 is determined by single-crystal neutron diffraction experiment. The system undergoes a long-range magnetic order below the critical temperature TN=4.... The magnetic structure of the spin-chain antiferromagnet SrCo2 V208 is determined by single-crystal neutron diffraction experiment. The system undergoes a long-range magnetic order below the critical temperature TN=4.96 K. The moment of 2.16#B per Co at 1.6K in the screw chain running along the c axis Mternates in the c axis. The moments of neighboring screw chains are arranged antiferromagnetically along one in-plane axis and ferromagnetieally Monk the other in-plane axis. This magnetic configuration breaks the four-fold symmetry of the tetragonM crystal structure and leads to two equally populated magnetic twins with the antiferromagnetic vector in the a or b axis. The very similar magnetic state to the isostructural BaCo2 V~ 08 warrants SrCo2 V2 08 as another interesting half-integer spin-chain antiferromagnet for investigation on quantum antiferromagnetism. 展开更多
关键词 in ET IS of A Single-Crystal Neutron Diffraction study on Magnetic Structure of the Quasi-One-Dimensional Antiferromagnet SrCo2V2O8 for on
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STUDY ON THE STRUCTURE OF IONIC CONDUCTOR FOR LiH-LiF-P_2O_5 GLASS SYSTEM
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作者 崔万秋 徐庆 丁彦 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 1990年第2期23-28,共6页
The system of LiH-LiF-P_2O_5 ionic conductor glass is prepared in neutral atmosphere and glass -forming region is given. The structure and coor- dination of glass are analyzed by IR spectra. Raman spectra and RDF(r). ... The system of LiH-LiF-P_2O_5 ionic conductor glass is prepared in neutral atmosphere and glass -forming region is given. The structure and coor- dination of glass are analyzed by IR spectra. Raman spectra and RDF(r). The result indicates that the (PO_4), (PO_3F) and (LiF_4) tetrahedra are basical structure units of glass network and the coordina- tion number of Li is 4. The coordination number of P is 4. The glass random network structure model is given. The study on structure shows that Li^+, H^- and partial F^- are charge carriers in glass system. 展开更多
关键词 LIF study ON THE STRUCTURE OF IONIC CONDUCTOR FOR LiH-LiF-P2O5 GLASS SYSTEM OPO RDF
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LOCALIZED MOLECULAR ORBITAL STUDY ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS
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作者 Zhi Da CHEN Chun Wan LIU Jia Xi LU Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences State Key Laboratory of Structural Chemistry, Fuzhou, Fujian 350002 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第11期963-964,共2页
The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and th... The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and the rim π-bonds with larger localization form reactive regions for formation of buckminsterfullerene. 展开更多
关键词 In LOCALIZED MOLECULAR ORBITAL study ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS 工工
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A STUDY OF STRUCTURE TRANSITION OF CHLORIDE LAYER ADSORBED ON Ag(100) ELECTRODES
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作者 Bing Wei MAO Department of Chemistry, Xiamen University, Xiamen 361005 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第8期661-664,共4页
The behavior of chloride adsorbed on Ag(100) electrode has been studied using chronoamperometric technique, and the structural transition of chloride layer has been confirmed.
关键词 A study OF STRUCTURE TRANSITION OF CHLORIDE LAYER ADSORBED ON Ag ELECTRODES
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A STUDY OF THE STRUCTURE AND THE EXPRESSION OF PROTOONCOGENES IN HUMAN PRIMARY GASTRIC CANCER
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作者 陈诗书 钱关祥 +10 位作者 陈季 王敦瑞 章有章 孔良曼 赵涵芳 何尧祥 汪肖钢 薛建静 钱晓岚 于丽莉 王璐 《Chinese Journal of Cancer Research》 SCIE CAS CSCD 1990年第1期4-11,共8页
The allelic distribution of EcoRI and BamHI fragments of ras family genes between the human primary gastric cancer tissues and the corresponding adjacent normal tissues did not show any differences. Three genotypes of... The allelic distribution of EcoRI and BamHI fragments of ras family genes between the human primary gastric cancer tissues and the corresponding adjacent normal tissues did not show any differences. Three genotypes of BamHI restriction fragments length polymorphism of c-H-ras were revealed. No significant differences in the RFLPs were observed between normal individuals and gastric cancer patients. Four protooncogenes, c-H-ras, N-ras, c-myc and c-fos, were found to be transcriptionally active in the gastric cancer tissues in some cases examined. The comparison of the expression of these oncogenes between the malignant tissues and the corresponding normal tissues showed differential patterns. The expression of c-H-ras at cellular level was detected with in situ hybridization. The enhanced expression of c-H-ras in the gastric cancer cells was demonstrated, but the degree of the expession among the cancer cells was shown to be heterogeneous. In addition, the enhanced expression of c-H-ras was seen in the inflammatory cells. 展开更多
关键词 A study OF THE STRUCTURE AND THE EXPRESSION OF PROTOONCOGENES IN HUMAN PRIMARY GASTRIC CANCER EcoRI rRNA BamHI DNA
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Theoretical Study on the Structures, Vibrational Spectra, and the Nature of the Intermediate Hydrogen Bond of Schiff Bases
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作者 Yong ZHANG Cun Yuan ZHAO Xiao Zeng YOU(Coordination Chemistry Institute, Nanjing University, Nanjing 210093) 《Chinese Chemical Letters》 SCIE CAS CSCD 1997年第4期323-326,共4页
Semi-empirical method PM3 was used to study the geometry and vibrational spectrum of N-(2-hydroxy-l-naphthyl-methylene)-l-pyrenamine (NPY) with the intermediate hydrogen bond. Results are comparable to experimentation... Semi-empirical method PM3 was used to study the geometry and vibrational spectrum of N-(2-hydroxy-l-naphthyl-methylene)-l-pyrenamine (NPY) with the intermediate hydrogen bond. Results are comparable to experimentations. Based on results of both NPY and its model, N-(2-hydroxy-l-naphthyl-methylene)aniline, it was found that the N-(2-hydroxy-l-naphthyl-methylene) group is principally responsible for the special hydrogen bonding through conjugation effect. 展开更多
关键词 NATURE and the Nature of the Intermediate Hydrogen Bond of Schiff Bases Vibrational Spectra Theoretical study on the Structures
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