| Elemental carbon cages TG Schmalz, WA Seitz, DJ Klein, GE Hite Journal of the American Chemical Society 110 (4), 1113-1127, 1988 | 1142* | 1988 |
| On the definition of the hyper-Wiener index for cycle-containing structures DJ Klein, I Lukovits, I Gutman Journal of chemical information and computer sciences 35 (1), 50-52, 1995 | 442 | 1995 |
| Graphitic polymer strips with edge states DJ Klein Chemical Physics Letters 217 (3), 261-265, 1994 | 333 | 1994 |
| Extensions of the Wiener number HY Zhu, DJ Klein, I Lukovits Journal of chemical information and computer sciences 36 (3), 420-428, 1996 | 299 | 1996 |
| Resonance in C60 buckminsterfullerene DJ Klein, TG Schmalz, GE Hite, WA Seitz Journal of the American Chemical Society 108 (6), 1301-1302, 1986 | 264 | 1986 |
| Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances D Bonchev, AT Balaban, X Liu, DJ Klein International journal of quantum chemistry 50 (1), 1-20, 1994 | 251 | 1994 |
| High‐spin hydrocarbons DJ Klein, CJ Nelin, S Alexander, FA Matsen The Journal of Chemical Physics 77 (6), 3101-3108, 1982 | 241 | 1982 |
| Degenerate perturbation theory DJ Klein The Journal of Chemical Physics 61 (3), 786-798, 1974 | 232 | 1974 |
| Resistance-distance sum rules DJ Klein Croatica chemica acta 75 (2), 633-649, 2002 | 230 | 2002 |
| Resistance‐distance matrix: a computational algorithm and its application D Babić, DJ Klein, I Lukovits, S Nikolić, N Trinajstić International Journal of Quantum Chemistry 90 (1), 166-176, 2002 | 209 | 2002 |
| Icosahedral symmetry carbon cage molecules DJ Klein, WA Seitz, TG Schmalz Nature 323 (6090), 703-706, 1986 | 192 | 1986 |
| Favorable structures for higher fullerenes X Liu, TG Schmalz, DJ Klein Chemical Physics Letters 188 (5-6), 550-554, 1992 | 164 | 1992 |
| Graphical properties of polyhexes: perfect matching vector and forcing F Harary, DJ Klein, TP ®ivkovič Journal of mathematical chemistry 6 (1), 295-306, 1991 | 154 | 1991 |
| Molecular topological index: A relation with the Wiener index DJ Klein, Z Mihalic, D Plavsic, N Trinajstic Journal of chemical information and computer sciences 32 (4), 304-305, 1992 | 149 | 1992 |
| Innate degree of freedom of a graph DJ Klein, M Randić Journal of Computational Chemistry 8 (4), 516-521, 1987 | 148 | 1987 |
| Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR) T Ivanciuc, O Ivanciuc, DJ Klein Molecular Diversity 10, 133-145, 2006 | 145 | 2006 |
| Graphitic edges and unpaired π-electron spins DJ Klein, L Bytautas The Journal of Physical Chemistry A 103 (26), 5196-5210, 1999 | 127 | 1999 |
| Valence-bond theory and chemical structure DJ Klein, N Trinajstic Journal of Chemical Education 67 (8), 633, 1990 | 127 | 1990 |
| Partially filled linear Hubbard model near the atomic limit DJ Klein, WA Seitz Physical Review B 10 (8), 3217, 1974 | 124 | 1974 |
| Diamond-graphite hybrids AT Balaban, DJ Klein, CA Folden Chemical Physics Letters 217 (3), 266-270, 1994 | 121 | 1994 |
