138 citations · 201 across the 7 of their papers we have counts for
3 papers · 1 filter
Solvent reaction coordinate for an S2 reaction
Christian Leitold, Christopher J. Mundy, Marcel D. Baer +2
We study the prototypical SN2 reaction Cl + CHCl CHCl + Cl in water using quantum mechanics / molecular mechanics (QM/MM) computer simulations with transition…
Solid-solid phase equilibria in the NaCl-KCl system
Jamshed Anwar, Christian Leitold, Baron Peters
Solid solutions, structurally ordered but compositionally disordered mixtures, can form for salts, metals, and even organic compounds. The NaCl-KCl system forms a solid solution at…
The Generic Unfolding of a Biomimetic Polymer during Force Spectroscopy
Aviel Chaimovich, Christian Leitold, Christoph Dellago
With the help of force spectroscopy, several analytical theories aim at estimating the rate coefficient of folding for various proteins. Nevertheless, a chief bottleneck lies in th…