Trimethyl-p-benzoquinone Provides Excellent Structural, Spectroscopic, and Thermochemical Models for Plastoquinone-1 and Its Radical Anion

Trimethyl-p-benzoquinone (TMQ) has been proposed to furnish an accurate thermochemical model for plastoquinones, key electron acceptors in oxygenic photosynthetic electron transfer. Free energy perturbation/molecular dynamics simulations combined with hybrid Hartree−Fock/density functional (HF/DF) c...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1997-02, Vol.101 (6), p.1160-1165
Hauptverfasser:	Wise, Kristopher E, Grafton, Anthony K, Wheeler, Ralph A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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