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Mixed Quantum Classical (QM/MM) Simulations of Biological Electron Transfer

English title Mixed Quantum Classical (QM/MM) Simulations of Biological Electron Transfer
Applicant Roethlisberger Ursula
Number 100502
Funding scheme Project funding (Div. I-III)
Research institution Laboratorium für Anorganische Chemie ETH Zürich
Institution of higher education EPF Lausanne - EPFL
Main discipline Physical Chemistry
Start/End 01.05.2003 - 30.04.2005
Approved amount 215'772.00
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Keywords (4)

ELECTRON TRANSFER; PHOTOSYNTHETIC SYSTEM PHOTOSYNTHESIS; AZURIN, QM/MM CAR-PARRINELLO SIMULATIONS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT)

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Associated projects

Number Title Start Funding scheme
108063 Mixed Quantum Classical (QM/MM) Simulations of Biological Electron Transfer 01.05.2005 Project funding (Div. I-III)
57250 Ab initio hybrid simulations of electron transfer reactions 01.07.2000 Project funding (Div. I-III)

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