刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
出版时间:15 February 2017
年:2017
卷:173
期:Complete
页码:201-206
全文大小:1074 K
卷排序:173
文摘
Weak fundamental NH-stretching transitions in amines The gradient of the dipole moment function is close to zero at the equilibrium NH bond length. Local mode CCSD(T)-F12a/VDZ-F12 calculations guided assignment of spectra.