16 citations · 24 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 16 cited
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…
cond-mat.stat-mech2020★ 8 cited
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…