Skip to main content
. Author manuscript; available in PMC: 2018 May 9.
Published in final edited form as: J Chem Theory Comput. 2017 Apr 19;13(5):2053–2071. doi: 10.1021/acs.jctc.7b00067

Figure 8.

Figure 8

Two-dimensional potential energy surface (kcal mol-1) of deoxythymidine in each of the three indicated geometries. Backbone β, γ, and ε dihedrals were constrained to canonical values in each conformational scan. QM potential energies are computed using the MP2/6-31G* model chemistry.