| Incorrect dissociation behavior of radical ions in density functional calculations T Bally, GN Sastry The Journal of Physical Chemistry A 101 (43), 7923-7925, 1997 | 351 | 1997 |
| Calculating accurate proton chemical shifts of organic molecules with density functional methods and modest basis sets R Jain, T Bally, PR Rablen The Journal of organic chemistry 74 (11), 4017-4023, 2009 | 335 | 2009 |
| Cyclobutadiene T Bally, S Masamune Tetrahedron 36 (3), 343-370, 1980 | 318 | 1980 |
| Cyclotrisilane (R2Si) 3 and disilene (R2Si: SiR2) system: synthesis and characterization S Masamune, Y Hanzawa, S Murakami, T Bally, JF Blount Journal of the American Chemical Society 104 (4), 1150-1153, 1982 | 264 | 1982 |
| Organic radical ions in rigid systems T Shida, E Haselbach, T Bally Accounts of Chemical Research 17 (5), 180-186, 1984 | 261 | 1984 |
| Quantum-Chemical Simulation of 1H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules T Bally, PR Rablen The Journal of organic chemistry 76 (12), 4818-4830, 2011 | 223 | 2011 |
| The C7H6 Potential Energy Surface Revisited: Relative Energies and IR Assignment S Matzinger, T Bally, EV Patterson, RJ McMahon Journal of the American Chemical Society 118 (6), 1535-1542, 1996 | 187 | 1996 |
| Calculations on open‐shell molecules: a Beginner's guide T Bally, WT Borden Reviews in Computational Chemistry, 1-97, 1999 | 186 | 1999 |
| Electronic Absorption Spectra of Neutral Pentacene (C22H14) and Its Positive and Negative Ions in Ne, Ar, and Kr Matrices TM Halasinski, DM Hudgins, F Salama, LJ Allamandola, T Bally The Journal of Physical Chemistry A 104 (32), 7484-7491, 2000 | 170 | 2000 |
| Pentalene: formation, electronic, and vibrational structure T Bally, S Chai, M Neuenschwander, Z Zhu Journal of the American Chemical Society 119 (8), 1869-1875, 1997 | 143 | 1997 |
| Matrix isolation, time-resolved IR, and computational study of the photochemistry of benzoyl azide EA Pritchina, NP Gritsan, A Maltsev, T Bally, T Autrey, Y Liu, Y Wang, ... Physical Chemistry Chemical Physics 5 (6), 1010-1018, 2003 | 118 | 2003 |
| Reversible interconversion between singlet and triplet 2-naphthyl (carbomethoxy) carbene Z Zhu, T Bally, LL Stracener, RJ McMahon Journal of the American Chemical Society 121 (12), 2863-2874, 1999 | 111 | 1999 |
| Quadrannulene: a nonclassical fullerene fragment R Bhola, T Bally, A Valente, MK Cyrański, Ł Dobrzycki, SM Spain, ... Angewandte Chemie International Edition 49, 399-402, 2009 | 106* | 2009 |
| The same but different T Bally Nature Chemistry 2 (3), 165-166, 2010 | 105 | 2010 |
| Stable polarons in polyacetylene oligomers: Optical spectra of long polyene radical cations T Bally, K Roth, W Tang, RR Schrock, K Knoll, LY Park Journal of the American Chemical Society 114 (7), 2440-2446, 1992 | 100 | 1992 |
| Excited states of polyene radical cations: limitations of Koopmans' theorem T Bally, S Nitsche, K Roth, E Haselbach Journal of the American Chemical Society 106 (14), 3927-3933, 1984 | 96 | 1984 |
| Studies on Radical Cations, III. The Type C Valence‐Isomeric System Quadricyclane Radical Cation/Norbornadiene Radical Cation E Haselbach, T Bally, Z Lanyiova, P Baertschi Helvetica Chimica Acta 62 (2), 583-592, 1979 | 96 | 1979 |
| Cyclobutadiene: the antiaromatic paradigm? T Bally Angewandte chemie international edition 45, 6616, 2006 | 91 | 2006 |
| The rearrangements of naphthylnitrenes: UV/Vis and IR spectra of azirines, cyclic ketenimines, and cyclic nitrile ylides A Maltsev, T Bally, ML Tsao, MS Platz, A Kuhn, M Vosswinkel, C Wentrup Journal of the American Chemical Society 126 (1), 237-249, 2004 | 84 | 2004 |
| Concerning the Conformation of Isolated Benzylideneaniline T Bally, E Haselbach, S Lanyiova, M Rossi, F Marschner Helvetica Chimica Acta 59 (2), 486-498, 1976 | 84 | 1976 |
