Using redundant internal coordinates to optimize equilibrium geometries and transition states. - Chunyang Peng; Philippe Y. Ayala; H. Bernhard Schlegel; Michael J. Frisch (J. Comput. Chem., 1996)

Electron correlation in large molecular systems using the atomic orbital formalism. The case of intermolecular interactions in crystalline urea as an example. - Philippe Y. Ayala; Gustavo E. Scuseria (J. Comput. Chem., 2000)

Artificial Intelligence in Chemistry: Current Trends and Future Directions. - Zachary J. Baum; Xiang Yu; Philippe Y. Ayala; Yanan Zhao; Steven P. Watkins; Qiongqiong Zhou (J. Chem. Inf. Model., 2021)