14 citations · 17 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2019★ 3 cited
Estimating configurational entropy and energy of molecular systems from computed spectral density
Jürgen Schlitter, Matthias Massarczyk
Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive…
cond-mat.stat-mech2011★ 14 cited
Constraint methods for determining pathways and free energy of activated processes
Jürgen Schlitter
Activated processes from chemical reactions up to conformational transitions of large biomolecules are hampered by barriers which are overcome only by the input of some free energy…
cond-mat.stat-mech2011
Inelastic collisions as a source of entropy?
Jürgen Schlitter
Activation/deactivation by inelastic collisions have been extensively studied at unimolecular reactions in gas phase where they are crucial for equilibration. As equilibration mean…