| Linear and nonlinear optical properties of [60] fullerene derivatives O Loboda, R Zalesny, A Avramopoulos, JM Luis, B Kirtman, ... The Journal of Physical Chemistry A 113 (6), 1159-1170, 2009 | 117 | 2009 |
| The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study A Avramopoulos, H Reis, J Li, MG Papadopoulos Journal of the American Chemical Society 126 (19), 6179-6184, 2004 | 116 | 2004 |
| Problems in the comparison of theoretical and experimental hyperpolarizabilities revisited H Reis The Journal of chemical physics 125 (1), 2006 | 112 | 2006 |
| Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals H Reis, MG Papadopoulos, P Calaminici, K Jug, AM Köster Chemical Physics 261 (3), 359-371, 2000 | 105 | 2000 |
| Calculation of macroscopic first-, second-, and third-order optical susceptibilities for the urea crystal H Reis, MG Papadopoulos, RW Munn The Journal of chemical physics 109 (16), 6828-6838, 1998 | 103 | 1998 |
| Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrix M Makowska-Janusik, H Reis, MG Papadopoulos, IG Economou, ... The Journal of Physical Chemistry B 108 (2), 588-596, 2004 | 72 | 2004 |
| Computer Simulation of the Linear and Nonlinear Optical Susceptibilities of p-Nitroaniline in Cyclohexane, 1,4-Dioxane, and Tetrahydrofuran in Quadrupolar … H Reis, MG Papadopoulos, A Grzybowski The Journal of Physical Chemistry B 110 (37), 18537-18552, 2006 | 63 | 2006 |
| Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystals H Reis, MG Papadopoulos, C Hättig, JG Ángyán, RW Munn The Journal of Chemical Physics 112 (14), 6161-6172, 2000 | 59 | 2000 |
| Ground and excited state dipole moments of coumarin laser dyes: Investigation by electro-optical absorption and emission methods NA Nemkovich, H Reis, W Baumann Journal of luminescence 71 (4), 255-263, 1997 | 56 | 1997 |
| Theoretical Investigation of the (Hyper)polarizabilities of Pyrrole Homologues C4H4XH (X = N, P, As, Sb, Bi). A Coupled-Cluster and Density Functional Theory Study A Alparone, H Reis, MG Papadopoulos The Journal of Physical Chemistry A 110 (17), 5909-5918, 2006 | 49 | 2006 |
| Performance of density functional theory in computing nonresonant vibrational (hyper) polarizabilities IW Bulik, R Zaleśny, W Bartkowiak, JM Luis, B Kirtman, GE Scuseria, ... Journal of Computational Chemistry 34 (20), 1775-1784, 2013 | 46 | 2013 |
| Comparative biophysical studies of sartan class drug molecules losartan and candesartan (CV-11974) with membrane bilayers C Fotakis, D Christodouleas, P Zoumpoulakis, E Kritsi, NP Benetis, ... The Journal of Physical Chemistry B 115 (19), 6180-6192, 2011 | 46 | 2011 |
| Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3 JM Luis, H Reis, M Papadopoulos, B Kirtman The Journal of chemical physics 131 (3), 2009 | 44 | 2009 |
| Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems B Kirtman, V Lacivita, R Dovesi, H Reis The Journal of chemical physics 135 (15), 2011 | 41 | 2011 |
| Nonlinear optical susceptibilities of poled guest− host systems: a computational approach H Reis, M Makowska-Janusika, MG Papadopoulos The Journal of Physical Chemistry B 108 (26), 8931-8940, 2004 | 40 | 2004 |
| Computational studies of darunavir into HIV-1 protease and DMPC bilayer: necessary conditions for effective binding and the role of the flaps G Leonis, Z Czyznikowska, G Megariotis, H Reis, MG Papadopoulos Journal of chemical information and modeling 52 (6), 1542-1558, 2012 | 38 | 2012 |
| DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters Bn (n=3–8,10) H Reis, MG Papadopoulos, I Boustani International Journal of Quantum Chemistry 78 (2), 131-135, 2000 | 38 | 2000 |
| Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28 B Skwara, RW Góra, R Zalesny, P Lipkowski, W Bartkowiak, H Reis, ... The Journal of Physical Chemistry A 115 (37), 10370-10381, 2011 | 37 | 2011 |
| Calculation of macroscopic first-and third-order optical susceptibilities for the benzene crystal H Reis, S Raptis, MG Papadopoulos, RHC Janssen, DN Theodorou, ... Theoretical Chemistry Accounts 99, 384-390, 1998 | 36 | 1998 |
| Novel 17β-Substituted Conformationally Constrained Neurosteroids that Modulate GABAA Receptors C Souli, N Avlonitis, T Calogeropoulou, A Tsotinis, G Maksay, T Bíró, ... Journal of medicinal chemistry 48 (16), 5203-5214, 2005 | 34 | 2005 |
