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Aggelos Avramopoulos
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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
1122009
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
1122004
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
592003
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), 244308, 2010
542010
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
522017
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), 134312, 2009
512009
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
442010
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 (9), 1-16, 2016
402016
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
402013
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
382009
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
382003
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 (3), 635-643, 2017
372017
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
362003
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
352001
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
292011
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
282013
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
252014
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
232016
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
222012
Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and K
A Avramopoulos, MG Papadopoulos
Molecular Physics 100 (6), 821-834, 2002
222002
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