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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
Research institution Laboratorium für Anorganische Chemie Departement für Chemie und Angewandte Biowis 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
57250 Ab initio hybrid simulations of electron transfer reactions 01.07.2000 Project funding

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