| 1 |
Atomic orbital Laplace-transformed second-order Moller-Plesset theory for periodic systems
Ayala PY, Kudin KN, Scuseria GE
Journal of Chemical Physics, 115(21), 9698, 2001 |
| 2 |
Atom pair partitioning of the correlation energy
Ayala PY, Scuseria GE
Chemical Physics Letters, 322(3-4), 213, 2000 |
| 3 |
Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism
Constans P, Ayala PY, Scuseria GE
Journal of Chemical Physics, 113(23), 10451, 2000 |
| 4 |
Linear scaling second-order Moller-Plesset theory in the atomic orbital basis for large molecular systems
Ayala PY, Scuseria GE
Journal of Chemical Physics, 110(8), 3660, 1999 |
| 5 |
Linear scaling coupled cluster and perturbation theories in the atomic orbital basis
Scuseria GE, Ayala PY
Journal of Chemical Physics, 111(18), 8330, 1999 |
| 6 |
A nonorthogonal CI treatment of symmetry breaking in sigma formyloxyl radical
Ayala PY, Schlegel HB
Journal of Chemical Physics, 108(18), 7560, 1998 |
| 7 |
Identification and treatment of internal rotation in normal mode vibrational analysis
Ayala PY, Schlegel HB
Journal of Chemical Physics, 108(6), 2314, 1998 |
| 8 |
A Combined Method for Determining Reaction Paths, Minima, and Transition-State Geometries
Ayala PY, Schlegel HB
Journal of Chemical Physics, 107(2), 375, 1997 |
| 9 |
Dissociative electron transfer, substitution, and borderline mechanisms in reactions of ketyl radical anions. Differences and difficulties in their reaction paths
Shaik S, Danovich D, Sastry GN, Ayala PY, Schlegel HB
Journal of the American Chemical Society, 119(39), 9237, 1997 |
| 10 |
A Reassessment of the Bond-Dissociation Energies of Peroxides - An Ab-Initio Study
Bach RD, Ayala PY, Schlegel HB
Journal of the American Chemical Society, 118(50), 12758, 1996 |
