Philippe Y. Ayala - Concepedia

Author

Philippe Y. Ayala

Rice University ORCID

Also Known As

P. Y. Ayala, P.Y. Ayala, Philippe Ayala, Philippe Y Ayala, Philippe Y. Ayala

Publications

5.4K

Citations

H-Index

Concepts

All Affiliations

Rice University Wayne State University BioNumerik (United States)Zenobia Therapeutics (United States)

About

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

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	14	14	5.1K
2	Natural Sciences	14	15	4.6K
3	Biochemistry	4	4	379
4	Applied Physics	3	3	594
5	Medicine	2	2	31

Philippe Y. Ayala

Publications

5.1K

Citations

H-Index

Page 1

	Year	Citations
Using redundant internal coordinates to optimize equilibrium geometries and transition states Chunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel, Journal of Computational Chemistry Numerical AnalysisDynamic EquilibriumEngineeringMolecular BiologyComputational Chemistry	1996	2.7K
Identification and treatment of internal rotation in normal mode vibrational analysis Philippe Y. Ayala, H. Bernhard Schlegel The Journal of Chemical Physics Modal AnalysisKinesiologyVibrationsEngineeringNormal Vibrational Modes	1998	462
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 Spectral TheoryEngineeringComputational ChemistryChemistryEnergy Minimization	1999	419
Linear scaling coupled cluster and perturbation theories in the atomic orbital basis Gustavo E. Scuseria, Philippe Y. Ayala The Journal of Chemical Physics EngineeringLinear Scaling AlgorithmPerturbation TheoriesLinear ScalingComputational Chemistry	1999	329
A combined method for determining reaction paths, minima, and transition state geometries Philippe Y. Ayala, H. Bernhard Schlegel The Journal of Chemical Physics EngineeringComputational ChemistryChemistryReaction PathsEnergy Minimization	1997	306
A Reassessment of the Bond Dissociation Energies of Peroxides. An <i>ab Initio</i> Study Robert D. Bach, Philippe Y. Ayala, H. Bernhard Schlegel Journal of the American Chemical Society EngineeringBond Dissociation EnergiesOrganic ChemistryComputational ChemistryChemistry	1996	294
Atomic orbital Laplace-transformed second-order Møller–Plesset theory for periodic systems Philippe Y. Ayala, Konstantin N. Kudin, Gustavo E. Scuseria The Journal of Chemical Physics Spectral TheoryEngineeringComputational ChemistryChemistryIntegrable System	2001	200
A nonorthogonal CI treatment of symmetry breaking in sigma formyloxyl radical Philippe Y. Ayala, H. Bernhard Schlegel The Journal of Chemical Physics EngineeringSpin SystemsMolecular BiologyComputational ChemistryChemistry	1998	87
Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism Pere Constans, Philippe Y. Ayala, Gustavo E. Scuseria The Journal of Chemical Physics Spectral TheoryEngineeringComputational ChemistryChemistryLaplace Transform Formalism	2000	65
Dissociative Electron Transfer, Substitution, and Borderline Mechanisms in Reactions of Ketyl Radical Anions. Differences and Difficulties in Their Reaction Paths Sason Shaik, David Danovich, G. Narahari Sastry, Journal of the American Chemical Society EngineeringMethyl ChlorideProton-coupled Electron TransferOrganic ChemistryOrganic Radicals	1997	58

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