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. Author manuscript; available in PMC: 2017 Sep 12.
Published in final edited form as: J Chem Theory Comput. 2017 Aug 8;13(9):4535–4552. doi: 10.1021/acs.jctc.7b00262

Figure 3.

Figure 3

QM (solid lines) and Drude (dashed lines) calculated potential energy surfaces for rotating dihedral angle CD33A-CD2C1A-CD2C1A-CD32A (a), and CD2C1A-CD2C1A-CD32A-CD33C (b) in 2-pentene.

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