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Nonlinearity of the Dipole Moment Surface and Intensities Anomaly of CHCl_(3)

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Chinese Physics Letters 2000年第1期17卷 13-15页

作者： LIN Hai YUAN Lan-Feng WANG Dong zhu qing-shi Open Laboratory of Bond Selective Chemistry and the Institute for Advanced StudiesUniversity of Science and Technology of ChinaHefei 230026

Relative absorption intensities of the Fermi resonance polyads of isolated C-H chromophore for the CHC13 molecule are calculated by one-dimensional dipole moment surface which had been obtained by the ab initio density functional method B3PW91 with 6-311++G(3df,2pd)basis set,and agree very well with the experimental *** is shown that the nonlinearity of the dipole moment surface in the vicinity of the equilibrium configuration is responsihle for the intensities anomaly,*** unusual strong intensities of the second Fermi resonance polyad.

关键词： Fermi dipole nonlinearity

HIGH RESOLUTION LASER SPECTROSCOPY STUDY OF THE l(2,-1)TYPE RESONANCE IN CH_3Fv_5 BAND

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Chinese Physics Letters 1984年第2期1卷 69-72页

作者： ZHAO Yao SHEN Zhiye zhu qing-shi ZHANG Cun-hao Dalian Institute of Chemical Physics Academia SinicaDalian

The high resolution laser spectroscopy study on the l(2,-1)type Coriolis resonance in CH_(3)Fv_(5)RQO and pp_(3)was carried *** improved value of E5 is obtained,E_(5)=2.3892(9)x10^(-3)cm^(-1).

关键词： CH3F LASER value

Symmetry Reduction and Rotational Re-quantization of Symmetric Top Molecules at Local Mode Limit

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Chinese Physics Letters 1997年第9期14卷 656-659页

作者： CHENG Ji-xin WANG Xiao-gang LIN Hai zhu qing-shi Department of Chemical Physics University of Science and Technology of ChinaHefei 230026

The(400)stretching overtone band of AsH3 has been observed near 8029.0 cm^(-1) and analyzed in both symmetric and asymmetric top *** results indicate that the dynamical symmetry of the(400)local mode state has reduced to that of an asymmetric top and the rotational energy levels can be assigned by a set of quantum numbers J,K_(a),and K_(c).

关键词： asymmetric stretching symmetry

Theoretical Scanning Tunnelling Microscopy Images of Metal (Fe, Co, Ni and Cu) Phthalocyanines

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Chinese Physics Letters 2001年第9期18卷 1234-1236页

作者： LI Qun-Xiang YANG Jin-Long YUAN Lan-Feng HOU Jian-Guo zhu qing-shi Open Laboratory of Bond Selective Chemistry University of Science and Technology of ChinaHefei 230026 Structure Research Laboratory University of Science and Technology of ChinaHefei 230026

The scanning tunnelling microscopy (STM) images of isolated iron phthalocyanine (FePc), cobalt phthalocyanine (CoPc), nickel phthalocyanine (NiPc) and copper phthalocyanine (CuPc) are simulated theoretically. All the simulated STM images show submolecular structures and reproduce well the features of the experimental images. The results show that there is a strong dependence of the STM images on the ion valence configuration of the metal ion. At the small tip bias voltages of less than 0.5 V, the central metal ions in NiPc and CuPc appear as holes in the molecular images, while they are the highlighted bumps in FePc and CoPc. The simulated images are interpreted by the fact that both FePc and CoPc systems have a significant dz2 character near the Fermi level while the NiPc and CuPc systems do not. Moreover, we predict that the central nickel ion for NiPc appears as a highlighted point when the tip bias voltage is larger than 0.7 V.

关键词： phthalocyanine nickel Tunnel

Effect of pyrite content on chalcopyrite flotation under different regrinding conditions

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 49-57页

作者： Zejun Wang qing shi Guofan Zhang Yuxuan zhu Binbin Li School of Minerals Processing and Bioengineering Central South UniversityChangsha 410083China Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources Central South UniversityChangsha 410083China

This study aimed to investigate the effect of varying pyrite(Py)content on copper(Cu)in the presence of different regrinding conditions,which were altered using different types of grinding media:iron,ceramic balls,and their mixture,followed by flotation in the cleaner *** flotation performance of rough Cu concentrate can be improved by changing the regrinding conditions based on the Py *** electron microscopy,X-ray spectrometry,ethylenediaminetetraacetic acid disodium salt extraction,and X-ray photoelectron spectroscopy studies illustrated that when the Py content was high,the use of iron media in regrinding promoted the generation of hydrophilic Fe OOH on the surface of Py and improved the Cu *** ceramic medium with a low Py content prevented excessive Fe OOH from covering the surface of chalcopyrite(Cpy).Electrochemical studies further showed that the galvanic corrosion current of Cpy-Py increased with the addition of Py and became stronger with the participation of iron media.

关键词： chalcopyrite regrinding media pyrite galvanic corrosion flotation

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吉他霉素中各组分的LC-MS研究

中国抗生素杂志 2007年第8期32卷 478-480页

作者：祝仕清牛长群华北制药集团新药研究开发中心石家庄050015

目的建立吉他霉素的LC-MS分析方法,分析确定吉他霉素各组分。方法采用分析柱,以电喷雾电离、正离子检测,以确定吉他霉素各组分。结果分析确定吉他霉素实际样品中存在9个组分,即吉他霉素A1、A3、A4、A5、A6、A7、A8、A9和A13,并得出各组... 详细信息

目的建立吉他霉素的LC-MS分析方法,分析确定吉他霉素各组分。方法采用分析柱,以电喷雾电离、正离子检测,以确定吉他霉素各组分。结果分析确定吉他霉素实际样品中存在9个组分,即吉他霉素A1、A3、A4、A5、A6、A7、A8、A9和A13,并得出各组分的比例。结论本文为吉他霉素的质量控制提供了一种新方法。

关键词：吉他霉素组分液质联用(LC—ESI—MS)

高效毛细管电泳法/液质联用分离与测控硫酸卷曲霉素各组分

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中国抗生素杂志 2009年第7期34卷 416-418页

作者：祝仕清牛长群华北制药集团新药研究开发中心石家庄050015

目的建立分离硫酸卷曲霉素组份的高效毛细管电泳法(HPCE)和液质联用(LC-MS),定性定量分析各组分。方法通过环糊精的种类及浓度、缓冲液的pH及浓度、温度及电压的优化,选择最佳的HPCE分离条件,并建立适合于LC-MS的分析条件。结果最佳的H... 详细信息

目的建立分离硫酸卷曲霉素组份的高效毛细管电泳法(HPCE)和液质联用(LC-MS),定性定量分析各组分。方法通过环糊精的种类及浓度、缓冲液的pH及浓度、温度及电压的优化,选择最佳的HPCE分离条件,并建立适合于LC-MS的分析条件。结果最佳的HPCE缓冲液为30mmol/L磷酸盐缓冲液(pH 2.5,内含8 mmol/L羧甲基-β-环糊精);检测波长为214nm;电压为30kV;温度为30℃,基线分离了卷曲霉素4个组分;采用XBP-C18色谱柱,电喷雾ESI为电离源,分析检测了卷曲霉素的各组分。结论建立的HPCE法和LC-MS法可用于为该产品的质量控制提供了可靠的分析方法。

关键词：硫酸卷曲霉素组分分析高效毛细管电泳法液质联用

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替考拉宁中主要组分的LC-MS法测定

分析测试学报 2008年第S1期27卷 23-25页

作者：祝仕清牛长群华北制药集团新药研究开发中心河北石家庄050015

LC-MS and LC-MS/MS methods were established to identify the main components of *** using electrospray ionization and positive ion monitoring,mass spectrometric detection were operated on a sigle quadrupole mass spectrometer and a triple quadrupole tandem mass *** components of teicoplanin were identified and *** established methods can be used to analyze teicoplanin qualitatively and quantitatively in the new drug development for quality control and stability study.

关键词： teicoplanin main components LC-MS LC-MS/MS

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头孢孟多酯钠的LC-MS分析

分析测试学报 2007年第Z1期26卷 53-54页

作者：祝仕清牛长群华北制药集团新药研究开发中心河北石家庄050015

To establish LC-MS method for the analysis of cefamandole nafate and quantitatively analyse components of cefamandole nafate and *** analytical column,electrospray ionzation and positive ion minitoring,the samples of cefamandole nafate were determined qualitatively and *** main related substance of cefamandole nafate was *** purity of samples from different provines were *** new established method is useful for quality control and stability study of cefamandole nafate.

关键词： Cefamandole nafate Cefamandole LC-ESI MS