Phil Mason

All publications

Latest publications

Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field

R. Nencini C. Tempra D. Biriukov M. Riopedre Fernández V. Cruces Chamorro J. Polák P. E. Mason D. Ondo J. Heyda O. H. S. Ollila P. Jungwirth M. A. Javanainen H. Martinez-Seara

Journal of Chemical Theory and Computation 20 (17): 7546–7559 (2024)

Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction

T. Nemirovich B. Young K. Březina P. E. Mason R. Seidel D. Stemer B. Winter P. Jungwirth S. E. Bradforth H. C. Schewe

Journal of the American Chemical Society 146 (12): 8043–8057 (2024)

Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics†

P. E. Mason T. Martinek B. Fábián M. Vazdar P. Jungwirth O. Ticháček E. Duboué-Dijon H. Martinez-Seara

Physical Chemistry Chemical Physics 26 (4): 3208-3218 (2024)

Common Cations Are Not Polarizable: Effects of Dispersion Correction on Hydration Structures from Ab Initio Molecular Dynamics

V. Košťál P. E. Mason H. Martinez-Seara P. Jungwirth

Journal of Physical Chemistry Letters 14 (19): 4403–4408 (2023)