| Total energy and band structure of the 3d, 4d, and 5d metals M Sigalas, DA Papaconstantopoulos, NC Bacalis Physical Review B 45 (11), 5777, 1992 | 146 | 1992 |
| Biomonitoring human exposure to environmental carcinogenic chemicals PB Farmer, O Sepai, R Lawrence, H Autrup, PS Nielsen, AB Vestergård, ... Mutagenesis 11 (4), 363-381, 1996 | 70 | 1996 |
| Systematic calculations of the band structures of the rare-gas crystals neon, argon, krypton, and xenon NC Bacalis, DA Papaconstantopoulos, WE Pickett Physical Review B 38 (9), 6218, 1988 | 66 | 1988 |
| Ab initio calculations of selected ionization states of Cu on MgO (001) NC Bacalis, AB Kunz Physical Review B 32 (8), 4857, 1985 | 66 | 1985 |
| Total-energy calculations of solid H, Li, Na, K, Rb, and Cs M Sigalas, NC Bacalis, DA Papaconstantopoulos, MJ Mehl, ... Physical Review B 42 (18), 11637, 1990 | 48 | 1990 |
| Interaction of dioxygen with Al clusters and Al (111): A comparative theoretical study C Mosch, C Koukounas, N Bacalis, A Metropoulos, A Gross, A Mavridis The Journal of Physical Chemistry C 112 (17), 6924-6932, 2008 | 45 | 2008 |
| Handbook of calculated electron momentum distributions, compton profiles, and x-ray form factors of elemental solids N Papanikolaou, NC Bacalis, DA Papaconstantopoulos (No Title), 1991 | 44 | 1991 |
| Various approximations made in augmented-plane-wave calculations NC Bacalis, K Blathras, P Thomaides, DA Papaconstantopoulos Physical Review B 32 (8), 4849, 1985 | 30 | 1985 |
| Transferable tight-binding parameters for ferromagnetic and paramagnetic iron NC Bacalis, DA Papaconstantopoulos, MJ Mehl, M Lach-Hab Physica B: Condensed Matter 296 (1-3), 125-128, 2001 | 27 | 2001 |
| State-specific theory and method for the computation of diatomic molecules: Application to He 2 2+ Σ g+ 1 NC Bacalis, Y Komninos, CA Nicolaides Physical Review A 45 (5), 2701, 1992 | 24 | 1992 |
| Theoretical Compton profiles due to valence electrons of Ti and TiH2 NC Bacalis, NI Papanicolaou, DA Papaconstantopoulos Journal of Physics F: Metal Physics 16 (10), 1471, 1986 | 21 | 1986 |
| Theoretical Study of the O2 Interaction with a Tetrahedral Al4 Cluster NC Bacalis, A Metropoulos, A Gross The Journal of Physical Chemistry A 114 (43), 11746-11750, 2010 | 20 | 2010 |
| Theory for the direct construction of diabatic states and application to the He+ 22Σ+ g spectrum CA Nicolaides, NC Bacalis, Y Komninos Chemical physics letters 192 (5-6), 486-492, 1992 | 17 | 1992 |
| Calculation of the electron momentum density and Compton scattering measurements for nickel DL Anastassopoulos, GD Priftis, NI Papanicolaou, NC Bacalis Journal of Physics: Condensed Matter 3 (9), 1099, 1991 | 16 | 1991 |
| Inherent restrictions of the Hylleraas-Undheim-MacDonald higher roots, and minimization functionals at the excited states NC Bacalis, Z Xiong, D Karaoulanis Journal of Computational Methods in Sciences and Engineering 8 (4-6), 277-285, 2008 | 15 | 2008 |
| Applications of the NRL tight-binding method to magnetic systems MJ Mehl, DA Papaconstantopoulos, II Mazin, NC Bacalis, WE Pickett Journal of Applied Physics 89 (11), 6880-6882, 2001 | 15 | 2001 |
| Theoretical investigation of the interaction of CH4 with Al2 and Al3 neutral and charged clusters EI Alexandrou, A Gross, NC Bacalis The Journal of chemical physics 132 (15), 2010 | 14 | 2010 |
| Analytic atomic wave functions of NMCSCF quality: Applications Z Xiong, MI Velgakis, NC Bacalis International journal of quantum chemistry 104 (4), 418-429, 2005 | 14 | 2005 |
| Thermal solitons in the Toda chain N Theodorakopoulos, NC Bacalis Physical Review B 46 (17), 10706, 1992 | 14 | 1992 |
| Excited molecules and clusters in solid media. Hydrogen and tetrahydrogen in ionic crystals CA Nicolaides, P Valtazanos, NC Bacalis Chemical physics letters 151 (1-2), 22-26, 1988 | 13 | 1988 |
