| 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 | 119 | 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 | 119 | 2004 |
| Electronic and vibrational polarizabilities and hyperpolarizabilities of azoles: a comparative study of the structure− polarization relationship K Jug, S Chiodo, P Calaminici, A Avramopoulos, MG Papadopoulos The Journal of Physical Chemistry A 107 (20), 4172-4183, 2003 | 72 | 2003 |
| Tailoring colors by O annulation of polycyclic aromatic hydrocarbons T Miletić, A Fermi, I Orfanos, A Avramopoulos, F De Leo, N Demitri, ... Chemistry–A European Journal 23 (10), 2363-2378, 2017 | 70 | 2017 |
| Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives K Jagiello, M Grzonkowska, M Swirog, L Ahmed, B Rasulev, ... Journal of Nanoparticle Research 18, 1-16, 2016 | 64 | 2016 |
| Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives L Serrano-Andrés, A Avramopoulos, J Li, P Labéguerie, D Bégué, V Kellö, ... The Journal of chemical physics 131 (13), 2009 | 57 | 2009 |
| Electronic and vibrational contributions to first hyperpolarizability of donor–acceptor-substituted azobenzene R Zaleśny, IW Bulik, W Bartkowiak, JM Luis, A Avramopoulos, ... The Journal of chemical physics 133 (24), 2010 | 56 | 2010 |
| Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated? K Jagiello, B Chomicz, A Avramopoulos, A Gajewicz, A Mikolajczyk, ... Structural Chemistry 28, 635-643, 2017 | 52 | 2017 |
| 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 | 48 | 2013 |
| Linear and nonlinear optical properties of triphenylamine-functionalized C 60: insights from theory and experiment R Zaleśny, O Loboda, K Iliopoulos, G Chatzikyriakos, S Couris, G Rotas, ... Physical Chemistry Chemical Physics 12 (2), 373-381, 2010 | 45 | 2010 |
| Strong interactions through the X⋯ Au–Y bridge: the Au bond? A Avramopoulos, MG Papadopoulos, AJ Sadlej Chemical physics letters 370 (5-6), 765-769, 2003 | 42 | 2003 |
| Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides A Avramopoulos, VE Ingamells, MG Papadopoulos, AJ Sadlej The Journal of Chemical Physics 114 (1), 198-210, 2001 | 39 | 2001 |
| Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations R Zaleśny, G Wójcik, I Mossakowska, W Bartkowiak, A Avramopoulos, ... Journal of Molecular Structure: THEOCHEM 907 (1-3), 46-50, 2009 | 37 | 2009 |
| Calculation of the microscopic and macroscopic linear and nonlinear optical properties of acetonitrile: I. Accurate molecular properties in the gas phase and susceptibilities … H Reis, MG Papadopoulos, A Avramopoulos The Journal of Physical Chemistry A 107 (19), 3907-3917, 2003 | 35 | 2003 |
| A computational strategy for the design of photochromic derivatives based on diarylethene and Nickel dithiolene with large contrast in nonlinear optical properties A Avramopoulos, R Zaleśny, H Reis, MG Papadopoulos The Journal of Physical Chemistry C 124 (7), 4221-4241, 2020 | 30 | 2020 |
| Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+ H Reis, O Loboda, A Avramopoulos, MG Papadopoulos, B Kirtman, ... Journal of Computational Chemistry 32 (5), 908-914, 2011 | 30 | 2011 |
| Theoretical modelling of photoswitching of hyperpolarisabilities in ruthenium complexes BJ Coe, A Avramopoulos, MG Papadopoulos, K Pierloot, S Vancoillie, ... Chemistry–A European Journal 19 (47), 15955-15963, 2013 | 29 | 2013 |
| Elucidation of conformational states, dynamics, and mechanism of binding in human κ-opioid receptor complexes G Leonis, A Avramopoulos, RE Salmas, S Durdagi, M Yurtsever, ... Journal of chemical information and modeling 54 (8), 2294-2308, 2014 | 27 | 2014 |
| Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions EN Koukaras, AD Zdetsis, P Karamanis, C Pouchan, A Avramopoulos, ... Journal of Computational Chemistry 33 (10), 1068-1079, 2012 | 27 | 2012 |
| A series of novel derivatives with giant second hyperpolarizabilities, based on radiaannulenes, tetrathiafulvalene, nickel dithiolene, and their lithiated analogues A Avramopoulos, H Reis, N Otero, P Karamanis, C Pouchan, ... The Journal of Physical Chemistry C 120 (17), 9419-9435, 2016 | 26 | 2016 |
