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 · 292 citations · Full text

Engineering, Molecular Biology, Reaction Pathways +22

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

Irina Delidovich, Kai Leonhard, Regina Palkovits · Energy & Environmental Science · 2014 · 291 citations

Engineering, Bioenergy, Integrated Challenge +18

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 · 153 citations

Biopolymer Gel, Hydrogels, Polymer Material +8

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

Chemical Engineering, Engineering, Peroxy Chemistry +8

Modelling cellulose solubilities in ionic liquids using COSMO-RS

Jens Kahlen, Kai Masuch, Kai Leonhard · Green Chemistry · 2010 · 124 citations

Solid-state Ionic, Chemical Engineering, Engineering +14