Synthesis, X-ray structure analysis, thermodynamic and electronic properties of 4-acetamido benzaldehyde using vibrational spectroscopy and DFT calculations
详细信息    查看全文
文摘
A detailed Optimized geometrical parameters of XRD and theoretical values of 4ABA were reported. HOMO and LUMO analysis were also performed by DFT. Kinetic and thermodynamic stabilities of the molecules were determined. The condensed Fukui functions and condensed local softness indices were calculated.

© 2004-2018 中国地质图书馆版权所有 京ICP备05064691号 京公网安备11010802017129号

地址:北京市海淀区学院路29号 邮编:100083

电话:办公室:(+86 10)66554848;文献借阅、咨询服务、科技查新:66554700