资讯

C&EN17 天
Hydrogenation of Mixed Ir–Ti Oxide: A Powerful Concept to Promote the Oxygen Evolution ...
Institute of Physical Chemistry, Justus Liebig University, Heinrich-Buff-Ring 17, Giessen D-35392, Germany Center for Materials Research, Justus Liebig University, Heinrich-Buff-Ring 16, Giessen ...
C&EN19 天
Computation of Protein–Ligand Binding Free Energies with a Quantum Mechanics-Based Mining ...
Bulk solvation effects are accounted for with the conductor-like polarizable continuum model (PCM). DFTB3-D3(BJ)H/PCM single-point energy-only and geometry optimization QM corrections are carried out ...