Gareth W. A. Welch

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

Graeme M. Day, Timothy G. Cooper, Aurora J. Cruz‐Cabeza et al. · Acta Crystallographica Section B Structural Science · 2009 · 446 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14

Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials

Sarah L. Price, Maurice Leslie, Gareth W. A. Welch et al. · Physical Chemistry Chemical Physics · 2010 · 326 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? I. Comparison of Lattice Energies

Nizar Issa, P.G. Karamertzanis, Gareth W. A. Welch et al. · Crystal Growth & Design · 2008 · 168 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction

P.G. Karamertzanis, Andrei V. Kazantsev, Nizar Issa et al. · Journal of Chemical Theory and Computation · 2009 · 142 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs

P.G. Karamertzanis, Graeme M. Day, Gareth W. A. Welch et al. · The Journal of Chemical Physics · 2008 · 90 citations

Natural Sciences, Chemistry, Physics +17