| Electron correlation effects on the theoretical calculation of nuclear magnetic resonance spin–spin coupling constants SA Perera, M Nooijen, RJ Bartlett The Journal of chemical physics 104 (9), 3290-3305, 1996 | 311 | 1996 |
| Coupled‐cluster calculations of indirect nuclear coupling constants: The importance of non‐Fermi contact contributions SA Perera, H Sekino, RJ Bartlett The Journal of chemical physics 101 (3), 2186-2191, 1994 | 290 | 1994 |
| Parallel implementation of electronic structure energy, gradient, and Hessian calculations V Lotrich, N Flocke, M Ponton, AD Yau, A Perera, E Deumens, RJ Bartlett The Journal of chemical physics 128 (19), 2008 | 197 | 2008 |
| Multireference coupled-cluster theory: The easy way M Musiał, A Perera, RJ Bartlett The Journal of Chemical Physics 134 (11), 2011 | 137 | 2011 |
| Predicted NMR coupling constants across hydrogen bonds: a fingerprint for specifying hydrogen bond type? JE Del Bene, SA Perera, RJ Bartlett Journal of the American Chemical Society 122 (14), 3560-3561, 2000 | 128 | 2000 |
| Predicted nmr spectra for ethyl carbocations: A fingerprint for nonclassical hydrogen-bridged structures SA Perera, RJ Bartlett, PR Schleyer Journal of the American Chemical Society 117 (32), 8476-8477, 1995 | 126 | 1995 |
| Structure and NMR Spectra of the 2-Norbornyl Carbocation: Prediction of 1J(13C13C) for the Bridged, Pentacoordinate Carbon Atom SA Perera, RJ Bartlett Journal of the American Chemical Society 118 (33), 7849-7850, 1996 | 122 | 1996 |
| Hydrogen Bond Types, Binding Energies, and 1H NMR Chemical Shifts JE Del Bene, SA Perera, RJ Bartlett The Journal of Physical Chemistry A 103 (40), 8121-8124, 1999 | 119 | 1999 |
| A theoretical study of hyperfine coupling constants SA Perera, JD Watts, RJ Bartlett The Journal of chemical physics 100 (2), 1425-1434, 1994 | 112 | 1994 |
| Critical comparison of single-reference and multireference coupled-cluster methods: Geometry, harmonic frequencies, and excitation energies of N2O2 M Tobita, SA Perera, M Musial, RJ Bartlett, M Nooijen, JS Lee The Journal of chemical physics 119 (20), 10713-10723, 2003 | 106 | 2003 |
| Benchmark studies on the building blocks of DNA. 1. Superiority of coupled cluster methods in describing the excited states of nucleobases in the Franck–Condon region PG Szalay, T Watson, A Perera, VF Lotrich, RJ Bartlett The Journal of Physical Chemistry A 116 (25), 6702-6710, 2012 | 104 | 2012 |
| ACES II, a program product of the Quantum Theory Project JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ... University of Florida, 1992 | 96 | 1992 |
| Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states P Verma, A Perera, RJ Bartlett Chemical Physics Letters 524, 10-15, 2012 | 91 | 2012 |
| NMR Spin−Spin Coupling Constants for Hydrogen Bonds of [F(HF)n]-, n = 1−4, Clusters SA Perera, RJ Bartlett Journal of the American Chemical Society 122 (6), 1231-1232, 2000 | 89 | 2000 |
| Coupled-cluster calculations of Raman intensities and their application to N4 and N5− SA Perera, RJ Bartlett Chemical physics letters 314 (3-4), 381-387, 1999 | 88 | 1999 |
| Benchmarking for perturbative triple-excitations in EE-EOM-CC methods TJ Watson Jr, VF Lotrich, PG Szalay, A Perera, RJ Bartlett The Journal of Physical Chemistry A 117 (12), 2569-2579, 2013 | 74 | 2013 |
| Software design of ACES III with the super instruction architecture E Deumens, VF Lotrich, A Perera, MJ Ponton, BA Sanders, RJ Bartlett Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (6), 895-901, 2011 | 73 | 2011 |
| Hyperfine coupling constants of organic radicals SA Perera, LM Salemi, RJ Bartlett The Journal of chemical physics 106 (10), 4061-4066, 1997 | 72 | 1997 |
| Relativistic effects at the correlated level. An application to interhalogens SA Perera, RJ Bartlett Chemical physics letters 216 (3-6), 606-612, 1993 | 69 | 1993 |
| Vibrational Effects on the F−F Spin−Spin Coupling Constant (2hJF-F) in FHF- and FDF- JE Del Bene, MJT Jordan, SA Perera, RJ Bartlett The Journal of Physical Chemistry A 105 (37), 8399-8402, 2001 | 67 | 2001 |
