Kai Leonhard

Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations

Malte Döntgen, Marie-Dominique Przybylski-Freund, Leif C. Kröger et al. · Journal of Chemical Theory and Computation · 2015 · 303 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering

Irina Delidovich, Kai Leonhard, Regina Palkovits · Energy & Environmental Science · 2014 · 293 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Cononsolvency of poly-N-isopropyl acrylamide (PNIPAM): Microgels versus linear chains and macrogels

Christine Scherzinger, Annett Schwarz, André Bardow et al. · Current Opinion in Colloid & Interface Science · 2014 · 155 citations

Natural Sciences, Materials Engineering, Materials Science +14

Role of peroxy chemistry in the high-pressure ignition of n-butanol – Experiments and detailed kinetic modelling

Stijn Vranckx, Karl Alexander Heufer, C. Lee et al. · Combustion and Flame · 2011 · 134 citations · Full text

Engineering, Chemical Engineering, Chemistry +17

Modelling cellulose solubilities in ionic liquids using COSMO-RS

Jens Kahlen, Kai Masuch, Kai Leonhard · Green Chemistry · 2010 · 128 citations

Natural Sciences, Chemistry, Materials Science +17