The Journal of Physical Chemistry A

Theoretical study on the chiroptical optical properties of chiral fullerene C60 derivative

G Yang, Y Si, Z Su

Index: Strom, T. Amanda; Barron, Andrew R. Chemical Communications, 2010 , vol. 46, # 26 p. 4764 - 4766

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Citation Number: 16

Abstract

... 10.1021/jp204860x. Publication Date (Web): October 14, 2011. Copyright © 2011 American Chemical Society. ... of density functional theory (DFT) in the Gaussian 09 computational chemistry program.(18 ... Figure 2. Calculated oscillatory (f) and rotatory strengths (R) for the first three ...