Alan T. Yeates

ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials

Md Mahbubul Islam, Alireza Ostadhossein, Oleg Borodin et al. · Physical Chemistry Chemical Physics · 2014 · 163 citations

Iodine-doped polyazines: evidence against bipolarons and nitrenium ions

Douglas S. Dudis, Alan T. Yeates, Daniel Kost et al. · Journal of the American Chemical Society · 1993 · 35 citations

Molecular Sciences, Chemical Analysis, Donut Icon +9

Vibronic contribution to static molecular hyperpolarizabilities

G. Das, Alan T. Yeates, D. S. Dudis · Chemical Physics Letters · 1993 · 22 citations

Vibronic Interaction, Vibronic Contribution, Physics +3

Preparation of halogenated derivatives of thiazolo[5,4‐<i>d</i>]thiazole<i>via</i>direct electrophilic aromatic substitution

Vladimir Benin, Alan T. Yeates, Douglas S. Dudis · Journal of Heterocyclic Chemistry · 2008 · 19 citations · Full text

Virtual synthesis of artificial molecules of In, Ga, and As with predesigned electronic properties using a self-consistent field method

Liudmila A. Pozhar, Alan T. Yeates, Frank Szmulowicz et al. · Physical Review B · 2006 · 17 citations

Engineering, Multiconfiguration Self-consistent Field, Computational Chemistry +17