Reaction path-force matching in collective variables: Determining ab initio QM/MM free energy profiles for solution-phase reactions

Bryant Kim

Mulpuri Nagaraju

Yan Zhou

Pedro Ojeda-may

Seth Keeton

Mellisa Hege

Jingzhi Pu

Bryant Kim

Mulpuri Nagaraju

Yan Zhou

Pedro Ojeda-may

Seth Keeton

Mellisa Hege

Jingzhi Pu

0 views
0 downloads