Jan Florián

Q-Chem 2.0: a high-performanceab initio electronic structure program package

Jing Kong, Christopher A. White, Anna I. Krylov et al. · Journal of Computational Chemistry · 2000 · 628 citations

Engineering, Computational Chemistry, Chemistry +16

Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution:  Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution

Jan Florián, Arieh Warshel · The Journal of Physical Chemistry B · 1997 · 280 citations

Hydration Free Energies, Chemical Thermodynamics, Engineering +15

Spontaneous DNA Mutations Induced by Proton Transfer in the Guanine·Cytosine Base Pairs:  An Energetic Perspective

Jan Florián, Jerzy Leszczyński · Journal of the American Chemical Society · 1996 · 277 citations

Dna, Molecular Biology, Molecular Genetics +19

Phosphate Ester Hydrolysis in Aqueous Solution:  Associative versus Dissociative Mechanisms

Jan Florián, Arieh Warshel · The Journal of Physical Chemistry B · 1998 · 251 citations

Hybrid ab Initio Quantum Mechanics/Molecular Mechanics Calculations of Free Energy Surfaces for Enzymatic Reactions:  The Nucleophilic Attack in Subtilisin

Jörg Bentzien, Richard P. Muller, Jan Florián et al. · The Journal of Physical Chemistry B · 1998 · 192 citations

Engineering, Activation Free Energies, Computational Chemistry +17