A STUDY OF THE XBS~+CATIONS(X=H,F,Cl)BY IMPROVED MS-X_α METHOD

来源 :Chinese Chemical Letters | 被引量 : 0次 | 上传用户:guanjianjun1
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
By means of improved overlapping Muffin-Tin X_a method recently developed theground state ~2(?)and the first excited state ~2Σ~+ of the XBS~+(X=H,F,Cl)cations are studied.Thecalculated energies are in good agreement with experiment.The ionization potentia
其他文献
阳春三月,走进新疆军区69242部队营院,一幅幅美景映入眼帘:鱼儿在水中嬉戏,鸟儿在树梢鸣唱,草地绿茵如毯,路旁排排苍翠松柏向路人行“注目礼”。
Reaction of glycine with phosphorus trichloride in presence of triethylamine hasurnished the ovel spirohydridophosphorane.Its structure has been characterized b
河北省邢台县是一个山区县,浅山丘陵区及三河两岸的沙荒区至今仍有荒山荒滩4814万亩。由于干旱少雨,立地条件差,虽经多年治理,造林成活率依旧很低,严重制约了全县的绿化建设进程。
Electron microscope and electron diffraction have been used tostudy epitaxial crystallization of poly(ε-caprolactone)(PCL).on highlyoriented film of isotactic
The electronic structure and spectra of [Mo3O4-nSn]<sup>4+</sup>(n=0-4)cations were calculated by means of INDO/CI quantum chemistry method toaccount for the expe
A new synthetic route to α—damascone (4) starting from citral is described-The synthesis features allylatioa of α—cyclocitral (1) with allylic bromide in th
通过调查,分析特区高校图书馆在海外报刊入藏量、开发,利用的优势,论述特区高校图书馆的开展海外报刊情报资料工作存在的主要问题,提出今后的改进意见和努力方向。
This paper reports the determination of stability constants for complexes of Cd(Ⅱ)with Gly,Ala,Val,Asp,Gly—Asp,Asp Gly,Gly—Gly and Gly—Gly—Gly using both mic
The chiral oxiranecarboxylic acids or esters 2a-e were obtained with lipase (CCL) in aqueous-organic system.The ee and the absolute configurations of the produc
陕西省太白县黄柏塬乡黄柏塬村有集体山林6万佘亩。在全县开展林改试点中,黄柏塬村以“户均有山,还权于民”为宗旨,妥善解决历史遗留“多山户”问题,率先完成了主体改革任务,“无