Use of molecular dynamics simulations with ab initio SCF calculations for the determination of the deuterium quadrupole coupling constant in liquid water and bond lengths in ice. - Rolf Eggenberger; Stefan Gerber 001; Hanspeter Huber; Debra Searles; Marc Welker (J. Comput. Chem., 1993)

Time Reversibility, Correlation Decay and the Steady State Fluctuation Relation for Dissipation. - Debra J. Searles; Barbara M. Johnston; Denis J. Evans; Lamberto Rondoni (Entropy, 2013)

Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction. - Michelle A. Hunter; Julia M. T. A. Fischer; Marlies Hankel; Qinghong Yuan; Debra J. Searles (J. Chem. Inf. Model., 2019)