Concepedia

Philippe Y. Ayala

PY

18

Publications

5.1K

Citations

16

H-Index

1996

Active since

Affiliations

Rice University(Current)

Wayne State University

BioNumerik (United States)

Zenobia Therapeutics (United States)

Philippe Y. Ayala is an author at Rice University specializing in engineering, natural sciences, and quantum chemistry.

Top concepts

Natural SciencesEngineeringQuantum ChemistryPhysicsChemistryComputational ChemistryAtomic PhysicsElectronic StructureBiochemistryBiophysics

Publications per year

1996–2015

18

Publications

18

Using redundant internal coordinates to optimize equilibrium geometries and transition states

Chunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel et al. · Journal of Computational Chemistry · 1996 · 2.7K citations

Numerical Analysis, Dynamic Equilibrium, Engineering +22

Identification and treatment of internal rotation in normal mode vibrational analysis

Philippe Y. Ayala, H. Bernhard Schlegel · The Journal of Chemical Physics · 1998 · 462 citations

Modal Analysis, Kinesiology, Vibrations +15

Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

Philippe Y. Ayala, Gustavo E. Scuseria · The Journal of Chemical Physics · 1999 · 419 citations

Spectral Theory, Engineering, Computational Chemistry +18

Linear scaling coupled cluster and perturbation theories in the atomic orbital basis

Gustavo E. Scuseria, Philippe Y. Ayala · The Journal of Chemical Physics · 1999 · 329 citations · Full text

Engineering, Linear Scaling Algorithm, Perturbation Theories +22

A combined method for determining reaction paths, minima, and transition state geometries

Philippe Y. Ayala, H. Bernhard Schlegel · The Journal of Chemical Physics · 1997 · 306 citations

Engineering, Computational Chemistry, Chemistry +22

Rows per page

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