A comparison of the IGLO and LORG methods for the calculations of nuclear magnetic shieldings
- 作者Julio C. Facelli; David M. Grant; Thomas D. Bouman; Aage E. Hansen
- 卷第11卷
- 期第1期
- 印刷ISSN0192-8651
- 电子ISSN1096-987X
- 文件大小1118.91KB
- 发表时间1990
- DOI10.1002/jcc.540110104
- 页码32-44
同作者推荐
Ab initio studies of crystal field effects. VII. Structure of 2,3-diketopiperazine using a 13-molecule cluster, a calculation involving 1092 basis functionsAnik Peeters; C. Van Alsenoy; A. T. H. Lenstra; H. J. Geise · 1993
Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzeneGuang Wu; S. Jacobs; M. G. Verbruggen; A. T. H. Lenstra; C. van Alsenoy; H. J. Geise; L. van Meervelt · 1996