Ground states of molecules. 41. MNDO results for molecules containing boron
摘要:
Heats of formation, molecular geometries, ionization potentials, and dipole moments, calculated by the MNDO method, are reported for a wide variety of boron compounds. The results are much better than those from MINDO/3, especially for the boron hydrides. Calculated proton affinities also agree well with experiment.
展开
DOI:
10.1021/ja00458a001
被引量:
年份:
1977
通过文献互助平台发起求助,成功后即可免费获取论文全文。
请先登入
相似文献
参考文献
引证文献
引用走势
2010
被引量:560
辅助模式
0
引用
文献可以批量引用啦~
欢迎点我试用!