Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
B3LYP/6‐31G(d,p) optimized torsion angles φi (°) for 14 distinct configurations of rutin molecule with CH3–R in the axial position (see Scheme 1), using as input initial guess structures obtained from rigid scan (Figure 1). The unique configurations are highlighted in bold and the angles circled.
