Contains the keyword algorithms

Roskop L, Evans JW, Gordon MS. Adsorption and Diffusion of Gallium Adatoms on the Si(100)-2 x 1 Reconstructed Surface: A Multiconfiguration Self-Consistent Field Study Utilizing Molecular Surface Clusters. J Phys Chem C. 2011;115:23488-500. Abstract

Asadchev A, Bode BM, Gordon MS. Performance of Electronic Structure Calculations on BG/L and XT4 Computers. Journal of Computational and Theoretical Nanoscience. 2009;6:1290-6. Abstract

He J, Watson LT, Sosonkina M. Algorithm 897: VTDIRECT95: Serial and Parallel Codes for the Global Optimization Algorithm DIRECT. Acm Transactions on Mathematical Software. 2009;36:17. Abstract

Zorn D, Lin VS, Pruski M, Gordon MS. Comparison of Nitroaldol Reaction Mechanisms Using Accurate Ab Initio Calculations. J Phys Chem A. 2008;112:10635-49. Abstract