| A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systems GB Bacskay Chemical Physics 61 (3), 385-404, 1981 | 479 | 1981 |
| Line strengths and updated molecular constants for the C2 Swan system JSA Brooke, PF Bernath, TW Schmidt, GB Bacskay Journal of Quantitative Spectroscopy and Radiative Transfer 124, 11-20, 2013 | 163 | 2013 |
| Finite-field method calculations. IV. higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to … JE Gready, GB Bacskay, NS Hush Chemical Physics 31 (3), 467-483, 1978 | 143 | 1978 |
| Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives … IG John, GB Bacskay, NS Hush Chemical Physics 51 (1-2), 49-60, 1980 | 134 | 1980 |
| Pyrolysis of furan: Ab initio quantum chemical and kinetic modeling studies K Sendt, GB Bacskay, JC Mackie The Journal of Physical Chemistry A 104 (9), 1861-1875, 2000 | 131 | 2000 |
| The coupled-pair approximation in a basis of independent-pair natural orbitals PR Taylor, GB Bacskay, NS Hush, AC Hurley Chemical Physics Letters 41 (3), 444-449, 1976 | 121 | 1976 |
| Electron and energy transfer through bridged systems. 6. Molecular switches: the critical field in electric field activated bistable molecules NS Hush, AT Wong, GB Bacskay, JR Reimers Journal of the American Chemical Society 112 (11), 4192-4197, 1990 | 109 | 1990 |
| The validity of electrostatic predictions of the shapes of van der Waals dimers APL Rendell, GB Bacskay, NS Hush Chemical physics letters 117 (5), 400-408, 1985 | 109 | 1985 |
| Oscillator strengths and radiative lifetimes for C2: Swan, Ballik-Ramsay, Phillips, and dπg3← cΣu+ 3 systems DL Kokkin, GB Bacskay, TW Schmidt The Journal of chemical physics 126 (8), 2007 | 105 | 2007 |
| Spectroscopic constants of the X̃ (1 A 1), ã (3 B 1), and à (1 B 1) states of CF 2, CCl 2, and CBr 2 and heats of formation of selected halocarbenes: An ab initio quantum … K Sendt, GB Bacskay The Journal of Chemical Physics 112 (5), 2227-2238, 2000 | 98 | 2000 |
| The infrared absorption intensities of the water molecule: A quantum chemical study DJ Swanton, GB Bacskay, NS Hush The Journal of chemical physics 84 (10), 5715-5727, 1986 | 94 | 1986 |
| Homogeneous Conversion of Methane to Methanol. 2. Catalytic Activation of Methane by cis- and trans-Platin: A Density Functional Study of the Shilov Type … K Mylvaganam, GB Bacskay, NS Hush Journal of the American Chemical Society 122 (9), 2041-2052, 2000 | 90 | 2000 |
| An ab initio SCF calculation of the dipole-moment derivatives and infrared-absorption intensities of the water-dimer molecule DJ Swanton, GB Bacskay, NS Hush Chemical physics 82 (3), 303-315, 1983 | 88 | 1983 |
| Ab initio quantum chemical and kinetic modeling study of the pyrolysis kinetics of pyrrole M Martoprawiro, GB Bacskay, JC Mackie The Journal of Physical Chemistry A 103 (20), 3923-3934, 1999 | 84 | 1999 |
| Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules PR Taylor, GB Bacskay, NS Hush, AC Hurley The Journal of Chemical Physics 69 (5), 1971-1979, 1978 | 82 | 1978 |
| The effect of intermolecular interactions on the 2H and 17O quadrupole coupling constants in ice and liquid water PL Cummins, GB Bacskay, NS Hush, B Halle, S Engström The Journal of chemical physics 82 (4), 2002-2013, 1985 | 81 | 1985 |
| Decomposition of the benzyl radical: Quantum chemical and experimental (shock tube) investigations of reaction pathways J Jones, GB Bacskay, JC Mackie The Journal of Physical Chemistry A 101 (38), 7105-7113, 1997 | 80 | 1997 |
| The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+ … PL Cummins, GB Bacskay, NS Hush, R Ahlrichs The Journal of chemical physics 86 (12), 6908-6917, 1987 | 76 | 1987 |
| Solitons in finite-and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry JS Craw, JR Reimers, GB Bacskay, AT Wong, NS Hush Chemical physics 167 (1-2), 77-99, 1992 | 75 | 1992 |
| Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems JE Gready, GB Bacskay, NS Hush Chemical Physics 23 (1), 9-22, 1977 | 74 | 1977 |
