Philippe Y. Ayala
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Inorganic Fluorides and Related Compounds, Spectroscopy and Quantum Chemical Studies, Chemotherapy-induced organ toxicity mitigation, Crystallography and molecular interactions
Most-Cited Works
- → Using redundant internal coordinates to optimize equilibrium geometries and transition states(1996)2,725 cited
- → Identification and treatment of internal rotation in normal mode vibrational analysis(1998)466 cited
- → Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems(1999)420 cited
- → Linear scaling coupled cluster and perturbation theories in the atomic orbital basis(1999)329 cited
- → A combined method for determining reaction paths, minima, and transition state geometries(1997)307 cited
- → A Reassessment of the Bond Dissociation Energies of Peroxides. An ab Initio Study(1996)296 cited
- → Artificial Intelligence in Chemistry: Current Trends and Future Directions(2021)267 cited
- → Atomic orbital Laplace-transformed second-order Møller–Plesset theory for periodic systems(2001)200 cited
- → A nonorthogonal CI treatment of symmetry breaking in sigma formyloxyl radical(1998)87 cited
- → Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism(2000)66 cited