| Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements MM Francl, WJ Pietro, WJ Hehre, JS Binkley, MS Gordon, DJ DeFrees, ... The Journal of Chemical Physics 77 (7), 3654-3665, 1982 | 8857 | 1982 |
| Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements WJ Pietro, MM Francl, WJ Hehre, DJ Defrees, JA Pople, JS Binkley Journal of the American Chemical Society 104 (19), 5039-5048, 1982 | 1479 | 1982 |
| Atomic charges derived from electrostatic potentials: A detailed study LE Chirlian, MM Francl Journal of computational chemistry 8 (6), 894-905, 2004 | 1374 | 2004 |
| Charges Fit to Electrostatic Potentials. 11. Can Atomic Charges Be Unambiguously Fit to Electrostatic Potentials? MM Francl, C Carey, LE Chirlian, DM Gange Journal of computational chemistry 17 (3), 367-383, 1996 | 194 | 1996 |
| Nuclear Spin-Spin Coupling via Nonbonded Interactions. 8.1 The Distance Dependence of Through-Space Fluorine-Fluorine Coupling FB Mallory, CW Mallory, KE Butler, MB Lewis, AQ Xia, ED Luzik Jr, ... Journal of the American Chemical Society 122 (17), 4108-4116, 2000 | 147 | 2000 |
| NMR and molecular modeling study of the conformations of taxol and of its side chain methylester in aqueous and non-aqueous solution. HJ Williams, AI Scott, RA Dieden, CS Swindell, LE Chirlian, MM Francl, ... Tetrahedron 49 (30), 6545-6560, 1993 | 137 | 1993 |
| Polarization corrections to electrostatic potentials MM Francl The Journal of Physical Chemistry 89 (3), 428-433, 1985 | 109 | 1985 |
| The pluses and minuses of mapping atomic charges to electrostatic potentials MM Francl, LE Chirlian Reviews in Computational Chemistry, Volume 14, 1-31, 2007 | 98* | 2007 |
| Representation of electron densities. 1. Sphere fits to total electron density surfaces MM Francl, RF Hout Jr, WJ Hehre Journal of the American Chemical Society 106 (3), 563-570, 1984 | 78 | 1984 |
| Isomers of nitric acid and chlorine nitrate MP McGrath, MM Francl, FS Rowland, WJ Hehre The Journal of Physical Chemistry 92 (19), 5352-5357, 1988 | 72 | 1988 |
| The nitrogen (N4) molecule and its metastability MM Francl, JP Chesick Journal of Physical Chemistry 94 (2), 526-528, 1990 | 71 | 1990 |
| Theoretical investigation of aluminum-oxygen. pi.-bonding in 3-and 4-coordinate aluminum alkoxides AR Barron, KD Dobbs, MM Francl Journal of the American Chemical Society 113 (1), 39-43, 1991 | 69 | 1991 |
| Nmr and molecular modeling study of active and inactive taxol analogues in aqueous and nonaqueous solution HJ Williams, AI Scott, RA Dieden, CS Swindell, LE Chirlian, MM Francl, ... Canadian journal of chemistry 72 (1), 252-260, 1994 | 61 | 1994 |
| , JS Binkley, MS Gordon, DJ DeFrees, and JA Pople MM Francl, WJ Pietro, WJ Hehre J. Chem. Phys 77, 3654, 1982 | 53 | 1982 |
| Distance dependence of nonadiabaticity in the branching between C–Br and C–Cl bond fission following 1 [n (O), π∗(C= O)] excitation in bromopropionyl chloride PW Kash, GCG Waschewsky, LJ Butler, MM Francl Journal of Chemical Physics 99 (6), 4479, 1993 | 49 | 1993 |
| Phosphoranes: multiple bonding and substituent effects MM Francl, RC Pellow, LC Allen Journal of the American Chemical Society 110 (12), 3723-3728, 1988 | 41 | 1988 |
| . pi.-Complexes of alkenes to trivalent aluminum J Chey, HS Choe, YM Chook, E Jensen, PR Seida, MM Francl Organometallics 9 (9), 2430-2436, 1990 | 39 | 1990 |
| Competing C–Br and C–C bond fission following 1 [n (O), π∗(C= O)] excitation in bromoacetone: Conformation dependence of nonadiabaticity at a conical intersection PW Kash, GCG Waschewsky, RE Morss, LJ Butler, MM Francl Journal of Chemical Physics 100 (5), 3463, 1994 | 38 | 1994 |
| CF3 rotation in 3-(trifluoromethyl) phenanthrene. X-ray diffraction and ab initio electronic structure calculations X Wang, FB Mallory, CW Mallory, PA Beckmann, AL Rheingold, ... The Journal of Physical Chemistry A 110 (11), 3954-3960, 2006 | 32 | 2006 |
| Transition States for the Carboalumination of Alkenes and Alkynes JW Bundens, J Yudenfreund, MM Francl Organometallics 18 (19), 3913-3920, 1999 | 32 | 1999 |
William PietroProfessor of Chemistry, York UniversityVerified email at yorku.ca
