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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
Show all
Keywords (4)
ELECTRON TRANSFER; PHOTOSYNTHETIC SYSTEM PHOTOSYNTHESIS; AZURIN, QM/MM CAR-PARRINELLO SIMULATIONS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT)
Responsible applicant and co-applicants
Name
Institute
Roethlisberger Ursula
Laboratory of Computational Chemistry and Biochemistry, EPFL SB-ISIC-LCBC-BCH
Employees
Name
Institute
Maurer Patrick
von Lilienfeld-Toal Otto Anatole
Physikalische Chemie Departement Chemie Universität Basel
Bucher Denis
Biophysics group School of Physics The University of Sydney
Tapavicza Enrico
Department of Chemistry University of California, Irvine
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)
-