Investigating cyclic sotolon, maple furanone and their dimers in solution using optical rotation, electronic circular dichroism and vibrational circular dichroism

2017/03/14 by Qin Yang, Miaomiao Liang, Miao-Miao Liang +7
Chemistry · Medicine · #Analytical Chemistry and Chromatography #Molecular spectroscopy and chirality #Synthesis of Organic Compounds

paper · doi:10.1016/j.tet.2017.03.025

Citations

• Kohn—Sham density-functional theory within a finite basis set
• Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory
• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields