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A. Avramopoulos · SciRah

Researcher profile · Semantic Scholar

A. Avramopoulos

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A. Avramopoulos — researcher profile on SciRah

h-index: 20
Works: 69
Citations: 1,086

Most-cited papers

The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study.
A. Avramopoulos, H. Reis, Jiabo Li, M. Papadopoulos
2004Journal of the American Chemical Society92 citations
Semantic Scholar
Electronic and Vibrational Polarizabilities and Hyperpolarizabilities of Azoles: A Comparative Study of the Structure−Polarization Relationship
K. Jug, Sandro Chiodo, P. Calaminici, A. Avramopoulos +1 more
200357 citations
Semantic Scholar
Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities
Ireneusz W. Bulik, R. Zaleśny, W. Bartkowiak, J. M. Luis +5 more
2013Journal of Computational Chemistry53 citations Open access
Semantic Scholar
Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives
Karolina Jagiello, Monika Grzonkowska, Marta Swirog, Lucky Ahmed +5 more
2016Journal of nanoparticle research50 citations Open access
Semantic Scholar
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene.
R. Zaleśny, Ireneusz W. Bulik, W. Bartkowiak, J. M. Luis +3 more
2010Journal of Chemical Physics49 citations
Semantic Scholar
Tailoring Colors by O Annulation of Polycyclic Aromatic Hydrocarbons
T. Miletić, Andrea Fermi, I. Orfanos, A. Avramopoulos +7 more
2017Chemistry48 citations Open access
Semantic Scholar
Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives.
L. Serrano-Andrés, A. Avramopoulos, Jiabo Li, Pierre Labéguerie +3 more
2009Journal of Chemical Physics47 citations Open access
Semantic Scholar
Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?
Karolina Jagiello, B. Chomicz, A. Avramopoulos, A. Gajewicz +5 more
2017Structural Chemistry45 citations Open access
Semantic Scholar
Linear and nonlinear optical properties of triphenylamine-functionalized C60: insights from theory and experiment.
R. Zaleśny, O. Loboda, K. Iliopoulos, G. Chatzikyriakos +5 more
2010Physical Chemistry, Chemical Physics - PCCP38 citations
Semantic Scholar
Strong interactions through the X Au-Y bridge: the Au bond?
A. Avramopoulos, M. Papadopoulos, A. J. Sadlej
200337 citations
Semantic Scholar
Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations
R. Zaleśny, G. Wójcik, I. Mossakowska, W. Bartkowiak +2 more
200935 citations
Semantic Scholar
A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C60 or a Nucleobases.
A. Avramopoulos, Nicolás Otero, P. Karamanis, C. Pouchan +1 more
2016Journal of Physical Chemistry A29 citations
Semantic Scholar
Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes
B. Coe, A. Avramopoulos, M. Papadopoulos, K. Pierloot +2 more
2013Chemistry29 citations Open access
Semantic Scholar
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+
H. Reis, O. Loboda, A. Avramopoulos, M. Papadopoulos +3 more
2011Journal of Computational Chemistry27 citations
Semantic Scholar
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, M. Papadopoulos
202025 citations Open access
Semantic Scholar
Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides
A. Avramopoulos, V. Ingamells, M. Papadopoulos, A. J. Sadlej
200125 citations
Semantic Scholar
Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes
G. Leonis, A. Avramopoulos, R. E. Salmas, S. Durdağı +2 more
2014Journal of Chemical Information and Modeling24 citations
Semantic Scholar
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions
E. Koukaras, A. Zdetsis, P. Karamanis, C. Pouchan +2 more
2012Journal of Computational Chemistry24 citations
Semantic Scholar
A Series of Novel Derivatives with Giant Second Hyperpolarizabilities, Based on Radiaannulenes, Tetrathiafulvalene, Nickel Dithiolene, and Their Lithiated Analogues
A. Avramopoulos, H. Reis, Nicolás Otero, P. Karamanis +2 more
201623 citations
Semantic Scholar
Calculation of the microscopic and macroscopic linear and nonlinear optical properties of acetonitrile: I. Accurate molecular properties in the gas phase and susceptibilities of the liquid in Onsager's reaction-field model
H. Reis, M. Papadopoulos, A. Avramopoulos
200323 citations
Semantic Scholar
A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes.
G. Leonis, A. Avramopoulos, K. Papavasileiou, H. Reis +2 more
2015Journal of Physical Chemistry B20 citations
Semantic Scholar
Synthesis and non-linear optical properties of some novel nickel derivatives
G. Soras, N. Psaroudakis, G. Mousdis, M. Manos +7 more
201019 citations
Semantic Scholar
On the Electronic Structure of H-Ng-Ng-F (Ng = Ar, Kr, Xe) and the Nonlinear Optical Properties of HXe2F.
A. Avramopoulos, L. Serrano-Andrés, J. Li, M. Papadopoulos
2010Journal of Chemical Theory and Computation19 citations
Semantic Scholar
Linear and nonlinear optical properties of some organoxenon derivatives.
A. Avramopoulos, L. Serrano-Andrés, Jiabo Li, H. Reis +1 more
2007Journal of Chemical Physics17 citations
Semantic Scholar
Systematic molecular dynamics, MM-PBSA, and ab initio approaches to the saquinavir resistance mechanism in HIV-1 PR due to 11 double and multiple mutations.
Haralambos Tzoupis, G. Leonis, A. Avramopoulos, T. Mavromoustakos +1 more
2014Journal of Physical Chemistry B16 citations
Semantic Scholar
The (hyper)polarizabilities of AuXeF and XeAuF
F. Holka, A. Avramopoulos, O. Loboda, V. Kellö +1 more
200916 citations
Semantic Scholar
Computational investigation of fullerene-DNA interactions: Implications of fullerene's size and functionalization on DNA structure and binding energetics.
K. Papavasileiou, A. Avramopoulos, G. Leonis, M. Papadopoulos
2017Journal of Molecular Graphics and Modelling14 citations
Semantic Scholar
Relativistic effects on interaction-induced electric properties of weakly interacting systems: The HF…AuH dimer
A. Avramopoulos, M. Papadopoulos, A. J. Sadlej
200214 citations
Semantic Scholar
Ni Dithiolenes – A Theoretical Study on Structure–Property Relationships
A. Avramopoulos, H. Reis, G. Mousdis, M. Papadopoulos
201313 citations Open access
Semantic Scholar
Electronic spectrum of the confined auride ion
D. Kȩdziera, A. Avramopoulos, M. Papadopoulos, A. J. Sadlej
200313 citations
Semantic Scholar
Significant nonlinear‐optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study
P. Karamanis, Nicolás Otero, C. Pouchan, J. J. Torres +3 more
2014Journal of Computational Chemistry12 citations
Semantic Scholar
Compilation of Data and Modelling of Nanoparticle Interactions and Toxicity in the NanoPUZZLES Project.
A. Richarz, A. Avramopoulos, E. Benfenati, A. Gajewicz +6 more
2017Advances in Experimental Medicine and Biology10 citations
Semantic Scholar
Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model study
A. Avramopoulos, M. Jabłoński, M. Papadopoulos, A. J. Sadlej
200610 citations
Semantic Scholar
A computational study of photonic materials based on Ni bis(dithiolene) fused with benzene, possessing gigantic second hyperpolarizabilities
A. Avramopoulos, Nicolás Otero, H. Reis, P. Karamanis +1 more
20189 citations
Semantic Scholar
Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrin.
Grigorios Megariotis, Georgios Mikaelian, A. Avramopoulos, Nikolaos Romanos +1 more
2022Journal of Molecular Graphics and Modelling8 citations
Semantic Scholar
Polarizabilities and second hyperpolarizabilities of Zn m Cd n clusters
M. G. Papadopoulos, H. Reis, A. Avramopoulos, Ş. Erkoç +1 more
20068 citations Open access
Semantic Scholar
Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation
A. Avramopoulos, H. Reis, D. Tzeli, R. Zaleśny +1 more
2023Molecules7 citations Open access
Semantic Scholar
Linear—Scaling Calculations of Linear and Nonlinear Optical Properties of [60]fullerene Derivatives
O. Loboda, R. Zaleśny, A. Avramopoulos, M. Papadopoulos +1 more
20097 citations
Semantic Scholar
Nonlinear optical response of some Boron-dipyrromethene dyes: An experimental and theoretical investigation
P. Aloukos, I. Orfanos, Ioannis Dalamaras, A. Kaloudi-Chantzea +3 more
2022Materials Chemistry and Physics6 citations
Semantic Scholar
In silico study of levodopa in hydrated lipid bilayers at the atomistic level.
Grigorios Megariotis, Nikolaos Romanos, A. Avramopoulos, Georgios Mikaelian +1 more
2021Journal of Molecular Graphics and Modelling6 citations
Semantic Scholar
A twisted bay-substituted quaterrylene phosphorescing in the NIR spectral region
T. Miletić, Andrea Fermi, Ioannis Papadakis, I. Orfanos +8 more
20176 citations
Semantic Scholar
Stability and binding effects of silver(I) complexes at lipoxygenase-1
E. Vrontaki, G. Leonis, A. Avramopoulos, M. Papadopoulos +6 more
2015Journal of Enzyme Inhibition and Medicinal Chemistry6 citations Open access
Semantic Scholar
On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF
A. Avramopoulos, H. Reis, J. M. Luis, M. Papadopoulos
2013Journal of Computational Chemistry6 citations Open access
Semantic Scholar
Theoretical investigations of the IR spectroscopy of Ni(C(2)S(2)H(2))(2). A case study of the P_VMWCI(2) algorithm including anharmonic effects.
D. Bégué, Pierre Labéguerie, D. Zhang-Negrerie, A. Avramopoulos +2 more
2010Physical Chemistry, Chemical Physics - PCCP6 citations
Semantic Scholar
Static second-hyperpolarizability of diffuse electron cyclic compounds M2A2 (M = Be, Mg, Ca; A = Li, Na, K): Effect of basis set and electron correlation
P. Banerjee, A. Avramopoulos, P. Nandi
2019Chemical Physics Letters5 citations
Semantic Scholar
Computer Simulation of the Nonlinear Optical Properties of Langmuir–Blodgett Films of a Squaraine Derivative
Grigorios Megariotis, A. Avramopoulos, M. Papadopoulos, H. Reis
20125 citations Open access
Semantic Scholar
On the stability, electronic structure, and nonlinear optical properties of HXeOXeF and FXeOXeF.
A. Avramopoulos, Jiabo Li, N. Holzmann, G. Frenking +1 more
2011Journal of Physical Chemistry A5 citations Open access
Semantic Scholar
Revolutionizing Learning Management Systems: Architecture of an AI-Based LMS with Instructor-driven Personalized Content Generation
Eleni Ioannou-Sougleridi, S. Kopsidas, Denis Vavougios, Christos Simos +2 more
2024International Journal of Advanced Multidisciplinary Research and Studies4 citations Open access
Semantic Scholar
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays.
Haralambos Tzoupis, G. Leonis, A. Avramopoulos, H. Reis +8 more
2015Journal of Molecular Graphics and Modelling4 citations
Semantic Scholar
The effect of the vibrational contributions to the non-linear optical properties of small and medium size molecules
A. Avramopoulos, H. Reis, M. Papadopoulos
20124 citations
Semantic Scholar

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