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Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory

✍ Scribed by Wan, J.; Zhang, L.; Yang, G.; Zhan, C.-G.

Book ID: 118234602
Publisher: American Chemical Society
Year: 2004
Tongue: English
Weight: 243 KB
Volume: 44
Category: Article
ISSN: 0095-2338
DOI: 10.1021/ci049793p

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## Abstract The equilibrium geometries, electronic structures, and electrostatic potentials of a series of substituted phenyl triazolinones of protoporphyrinogen oxidase (PPO) inhibitors have been investigated by using the density functional theory (DFT) method. The quantum chemical descriptors, hi