Gabriel I. Pagola

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Optimization of Crystal Structures of Archetypical Pharmaceutical Compounds: A Plane-Wave DFT-D Study Using Quantum Espresso

Albert M. Lund, Anita M. Orendt, Gabriel I. Pagola et al. · Crystal Growth & Design · 2013 · 41 citations · Full text

Crystal Structure, Engineering, Computational Chemistry +18

Crystal structure prediction from first principles: The crystal structures of glycine

Albert M. Lund, Gabriel I. Pagola, Anita M. Orendt et al. · Chemical Physics Letters · 2015 · 28 citations · Full text

Crystal Structure, Engineering, First Principles +9

Magnetizabilities of Diatomic and Linear Triatomic Molecules in a Time-Independent Nonuniform Magnetic Field

Patricio F. Provasi, Gabriel I. Pagola, Marta B. Ferraro et al. · The Journal of Physical Chemistry A · 2013 · 22 citations

Magnetic Resonance, Computational Chemistry, Chemistry +17

Calculation of the fourth-rank molecular hypermagnetizability of some small molecules

Gabriel I. Pagola, M. C. Caputo, Marta B. Ferraro et al. · The Journal of Chemical Physics · 2004 · 21 citations · Full text

Engineering, Gaugeless Basis Sets, Magnetic Resonance +18