| Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM–MD procedure for accurate simulations of ions and complexes BM Rode, TS Hofer, BR Randolf, CF Schwenk, D Xenides, ... Theoretical Chemistry Accounts 115, 77-85, 2006 | 197 | 2006 |
| Structure and ultrafast dynamics of liquid water: A quantum mechanics/molecular mechanics molecular dynamics simulations study D Xenides, BR Randolf, BM Rode The Journal of chemical physics 122 (17), 2005 | 123 | 2005 |
| Dipole, dipole–quadrupole, and dipole–octopole polarizability of adamantane, from refractive index measurements, depolarized collision-induced light scattering … G Maroulis, D Xenides, U Hohm, A Loose The Journal of Chemical Physics 115 (17), 7957-7967, 2001 | 107 | 2001 |
| Hydrogen bonding in liquid water: An ab initio QM/MM MD simulation study D Xenides, BR Randolf, BM Rode Journal of molecular liquids 123 (2-3), 61-67, 2006 | 86 | 2006 |
| Basis set and electron correlation effects on the first and second static hyperpolarizability of SO2 D Xenides, G Maroulis Chemical Physics Letters 319 (5-6), 618-624, 2000 | 66 | 2000 |
| Enhanced Linear and Nonlinear Polarizabilities for the Li4 Cluster. How Satisfactory Is the Agreement between Theory and Experiment for the Static Dipole … G Maroulis, D Xenides The Journal of Physical Chemistry A 103 (24), 4590-4593, 1999 | 64 | 1999 |
| New basis sets for xenon and the interaction polarizability of two xenon atoms G Maroulis, A Haskopoulos, D Xenides Chemical physics letters 396 (1-3), 59-65, 2004 | 58 | 2004 |
| Interaction dipole moment, polarizability and hyperpolarizability in the KrXe heterodiatom A Haskopoulos, D Xenides, G Maroulis Chemical physics 309 (2-3), 271-275, 2005 | 47 | 2005 |
| Electric dipole and quadrupole moment and dipole polarizability of CS, SiO and SiS G Maroulis, C Makris, D Xenides, P Karamanis Molecular Physics 98 (8), 481-491, 2000 | 39 | 2000 |
| Electric Quadrupole and Hexadecapole Moment, Dipole and Quadrupole Polarizability, Second Electric Dipole Hyperpolarizability for P2, and a Comparative Study of Molecular Polarization in N … G Maroulis, D Xenides The Journal of Physical Chemistry A 107 (5), 712-719, 2003 | 32 | 2003 |
| Combined experimental and theoretical treatment of the dipole polarizability of P 4 clusters U Hohm, A Loose, G Maroulis, D Xenides Physical Review A 61 (5), 053202, 2000 | 28 | 2000 |
| Comparison of high-level post-Hartree–Fock and DFT methods on the calculation of interaction-induced electric properties of Kr–He D Xenides, A Hantzis, G Maroulis Chemical Physics 382 (1-3), 80-87, 2011 | 26 | 2011 |
| Trends of the bonding effect on the performance of DFT methods in electric properties calculations: a pattern recognition and metric space approach on some XY2 (X= O, S and Y … C Christodouleas, D Xenides, TE Simos Journal of computational chemistry 31 (2), 412-420, 2010 | 26 | 2010 |
| Polarizability evolution on natural and artificial low dimensional binary semiconductor systems: A case study of stoichiometric aluminum phosphide semiconductor clusters P Karamanis, D Xenides, J Leszczynski The Journal of chemical physics 129 (9), 2008 | 25 | 2008 |
| A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the … D Xenides, P Karamanis, C Pouchan Chemical Physics Letters 498 (1-3), 134-139, 2010 | 24 | 2010 |
| The polarizabilities of small stoichiometric aluminum phosphide clusters AlnPn (n= 2–9). Ab initio and density functional investigation P Karamanis, D Xenides, J Leszcszynski Chemical Physics Letters 457 (1-3), 137-142, 2008 | 24 | 2008 |
| On the performance of DFT methods on electric polarizability and hyperpolarizability calculations for the lithium tetramer G Maroulis, D Xenides Computing Letters 1 (4), 246-252, 2005 | 24 | 2005 |
| On the performance of DFT methods in (hyper) polarizability calculations: N4 (Td) as a test case D Xenides Journal of Molecular Structure: THEOCHEM 804 (1-3), 41-46, 2007 | 20 | 2007 |
| Synchronization in complex systems following a decision based queuing process: rhythmic applause as a test case D Xenides, DS Vlachos, TE Simos Journal of Statistical Mechanics: Theory and Experiment 2008 (07), P07017, 2008 | 14 | 2008 |
| How does the closing of the ring affect the electric properties of sulphur dioxide? A comparison with the open and closed form of ozone D Xenides, G Maroulis The Journal of Chemical Physics 115 (17), 7953-7956, 2001 | 14 | 2001 |
George MaroulisDepartment of Chemistry, University of Patras, GR-26500 Patras, GreeceVerified email at upatras.gr
