| Electrophilicity index RG Parr, L Szentpály, S Liu Journal of the American Chemical Society 121 (9), 1922-1924, 1999 | 6900 | 1999 |
| A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds P Fuentealba, H Preuss, H Stoll, L Von Szentpály Chemical Physics Letters 89 (5), 418-422, 1982 | 1086 | 1982 |
| Pseudopotential calculations on Rb+ 2, Cs+ 2, RbH+, CsH+ and the mixed alkali dimer ions L von Szentpály, P Fuentealba, H Preuss, H Stoll Chemical Physics Letters 93 (6), 555-559, 1982 | 318 | 1982 |
| Pseudopotential calculations for alkaline-earth atoms P Fuentealba, L Von Szentpaly, H Preuss, H Stoll Journal of Physics B: Atomic and Molecular Physics 18 (7), 1287, 1985 | 297 | 1985 |
| Computational analysis of theacrine, a purported nootropic and energy-enhancing nutritional supplement R Parr, LV Szentpaly, KJ Liu Am. Chem. Soc 121, 1922-1924, 1999 | 232 | 1999 |
| On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results P Fuentealba, H Stoll, L Von Szentpaly, P Schwerdtfeger, H Preuss Journal of Physics B: Atomic and Molecular Physics 16 (11), L323, 1983 | 225 | 1983 |
| Cu and Ag as one‐valence‐electron atoms: CI results and quadrupole corrections for Cu2, Ag2, CuH, and AgH H Stoll, P Fuentealba, P Schwerdtfeger, J Flad, L Szentpály, H Preuss The Journal of chemical physics 81 (6), 2732-2736, 1984 | 147 | 1984 |
| Cu and Ag as one‐valence‐electron atoms: Pseudopotential results for Cu2, Ag2, CuH, AgH, and the corresponding cations H Stoll, P Fuentealba, M Dolg, J Flad, L Szentpály, H Preuss The Journal of chemical physics 79 (11), 5532-5542, 1983 | 136 | 1983 |
| Carcinogenesis by polycyclic aromatic hydrocarbons: a multilinear regression on new type PMO indexes L Von Szentpaly Journal of the American Chemical Society 106 (20), 6021-6028, 1984 | 76 | 1984 |
| Relativistic and correlation effects in pseudopotential calculations for Br, I, HBr, HI, Br2, and I2 P Schwerdtfeger, L Szentpály, K Vogel, H Silberbach, H Stoll, H Preuss The Journal of chemical physics 84 (3), 1606-1612, 1986 | 75 | 1986 |
| Studies on electronegativity equalization: part 1. Consistent diatomic partial charges L Von Szentpály Journal of Molecular Structure: THEOCHEM 233, 71-81, 1991 | 71 | 1991 |
| Experimental and theoretical dipole moments of purines in their ground and lowest excited singlet states JJ Aaron, MD Gaye, C Párkányi, NS Cho, L Von Szentpály Journal of Molecular Structure 156 (1-2), 119-135, 1987 | 67 | 1987 |
| Tunnelling through fatty acid monolayers and its relevance to photographic sensitization B Mann, H Kuhn, LV Szentpaly Chemical Physics Letters 8 (1), 82-84, 1971 | 67 | 1971 |
| Why and when is electrophilicity minimized? New theorems and guiding rules L von Szentpály, S Kaya, N Karakuş The Journal of Physical Chemistry A 124 (51), 10897-10908, 2020 | 63 | 2020 |
| Modeling the charge dependence of total energy and its relevance to electrophilicity L Von Szentpály International Journal of Quantum Chemistry 76 (2), 222-234, 2000 | 54 | 2000 |
| Hard bends soft: Bond angle and bending force constant predictions for dihalides, dihydrides, and dilithides of groups 2 and 12 L von Szentpály The Journal of Physical Chemistry A 106 (49), 11945-11949, 2002 | 44 | 2002 |
| Which double-octet ABC molecules are bent? CI calculations on CaF2, and a softness criterion to predict bending L von Szentpály, P Schwerdtfeger Chemical physics letters 170 (5-6), 555-560, 1990 | 43 | 1990 |
| Proof of Energy Transfer and Absence of Electron Injection in Spectral Sensitization of Evaporated AgBr by Oxacarbocyanine L Szentpaly, D Möbius, H Kuhn The Journal of Chemical Physics 52 (9), 4618-4626, 1970 | 42 | 1970 |
| Valence states in molecules. 3. Transferable vibrational force constants from homonuclear data L von Szentpály The Journal of Physical Chemistry A 102 (52), 10912-10915, 1998 | 40 | 1998 |
| Dipole moments of indoles in their ground and the first excited singlet states C Párkányi, SR Oruganti, AO Abdelhamid, L Von Szentpály, B Ngom, ... Journal of Molecular Structure: THEOCHEM 135, 105-116, 1986 | 40 | 1986 |
