Development and application of new theoretical methods to study (bio)catalytic reactions  Page description

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Details of project

 
Identifier
121070
Type PD
Principal investigator Madarász, Ádám
Title in Hungarian Új elméleti módszerek fejlesztése és alkalmazása (bio)katalitikus reakciók vizsgálatára
Title in English Development and application of new theoretical methods to study (bio)catalytic reactions
Keywords in Hungarian DFT, QM/MM, reakciómechanizmus, katalízis, organokatalizátor, enzim
Keywords in English DFT, QM/MM, reaction mechanism, catalysis, organocatalyst, enzyme
Discipline
Physical Chemistry and Theoretical Chemistry (Council of Physical Sciences)80 %
Ortelius classification: Quantum chemistry
Organic, Biomolecular, and Pharmaceutical Chemistry (Council of Physical Sciences)20 %
Ortelius classification: Molecular modelling
Panel Natural Sciences Committee Chairs
Department or equivalent Institute of Organic Chemistry (Research Center of Natural Sciences, Hungarian Academy of Sciences)
Starting date 2016-12-01
Closing date 2020-09-30
Funding (in million HUF) 15.090
FTE (full time equivalent) 2.34
state running project




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