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Chapter and Conference Paper
DFT-IET Method for Quantum-Classical Systems: Treatment of Solvated Quasiparticles
The density functional theory of excess quantum particles in a classical polar liquid is presented. Starting from the grand partition function, we have developed a microscopic model and derived the free-energy...
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Article
Superexchange coupling and electron transfer in globular proteins via polaron excitations
The polaron approach is used to treat long-range electron transfersbetween globular proteins. A rate expression for the polaron transfer model is given along with a description of appropriate conditions forits...
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Article
Superexchange coupling and electron transfer in globular proteins via polaron excitations
The polaron approach is used to treat long-range electron transfers between globular proteins. A rate expression for the polaron transfer model is given along with a description of appropriate conditions for i...