A. Avramopoulos

发表

Ni Dithiolenes – A Theoretical Study on Structure–Property Relationships

M. Papadopoulos, A. Avramopoulos, H. Reis, 2013 .

Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives.

L. Serrano-Andrés, Jiabo Li, D. Bégué, 2009, The Journal of chemical physics.

Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives

Jerzy Leszczynski, Tomasz Puzyn, Manthos G. Papadopoulos, 2016, Journal of Nanoparticle Research.

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.

T. Mavromoustakos, M. Papadopoulos, G. Leonis, 2014, The journal of physical chemistry. B.

Electronic spectrum of the confined auride ion

M. Papadopoulos, A. J. Sadlej, D. Kȩdziera, 2003 .

On the Electronic, Vibrational and Relativistic Contributions to the Linear and Nonlinear Optical Properties of Molecules

M. Papadopoulos, A. Avramopoulos, H. Reis, 2011 .

Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides

M. Papadopoulos, A. J. Sadlej, A. Avramopoulos, 2001 .

Stability and binding effects of silver(I) complexes at lipoxygenase-1

G. Melagraki, A. Afantitis, S. Grdadolnik, 2015, Journal of enzyme inhibition and medicinal chemistry.

Nonlinear optical response of some Boron-dipyrromethene dyes: An experimental and theoretical investigation

S. Couris, A. Avramopoulos, P. Aloukos, 2022, Materials Chemistry and Physics.

Far-Red to Near Infrared Emissive Aqueous Nanoparticles Based on a New Organic Material with Three BODIPY Dyes at the Periphery of the Core: A Combined Experimental and Theoretical Study

A. Dimitrakopoulou-Strauss, P. Koralli, C. Chochos, 2021, Electronic Materials.

Polarizabilities and second hyperpolarizabilities of Zn m Cd n clusters

S. Erkoç, A. Avramopoulos, H. Reis, 2006 .

Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations

M. Papadopoulos, R. Zaleśny, A. Avramopoulos, 2009 .

A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties

M. Papadopoulos, R. Zaleśny, A. Avramopoulos, 2020 .

Electronic and Vibrational Polarizabilities and Hyperpolarizabilities of Azoles: A Comparative Study of the Structure−Polarization Relationship

M. Papadopoulos, S. Chiodo, P. Calaminici, 2003 .

Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrin.

D. Theodorou, G. Megariotis, A. Avramopoulos, 2022, Journal of molecular graphics & modelling.

Strong interactions through the X Au-Y bridge: the Au bond?

M. Papadopoulos, A. J. Sadlej, A. Avramopoulos, 2003 .

On the Electronic Structure of H-Ng-Ng-F (Ng = Ar, Kr, Xe) and the Nonlinear Optical Properties of HXe2F.

L. Serrano-Andrés, M. Papadopoulos, A. Avramopoulos, 2010, Journal of chemical theory and computation.

The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study.

Jiabo Li, M. Papadopoulos, A. Avramopoulos, 2004, Journal of the American Chemical Society.

Computational investigation of fullerene-DNA interactions: Implications of fullerene's size and functionalization on DNA structure and binding energetics.

M. Papadopoulos, G. Leonis, A. Avramopoulos, 2017, Journal of molecular graphics & modelling.

On the stability, electronic structure, and nonlinear optical properties of HXeOXeF and FXeOXeF.

G. Frenking, Jiabo Li, M. Papadopoulos, 2011, The journal of physical chemistry. A.

Tailoring Colors by O Annulation of Polycyclic Aromatic Hydrocarbons

P. Ceroni, N. Demitri, Giacomo Bergamini, 2017, Chemistry.

A twisted bay-substituted quaterrylene phosphorescing in the NIR spectral region

N. Demitri, M. Papadopoulos, T. Miletić, 2017 .

Linear and nonlinear optical properties of triphenylamine-functionalized C60: insights from theory and experiment.

Oleksandr Loboda, Aggelos Avramopoulos, Stelios Couris, 2010, Physical chemistry chemical physics : PCCP.

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.

L. Serrano-Andrés, D. Bégué, M. Papadopoulos, 2010, Physical chemistry chemical physics : PCCP.

Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes

Aggelos Avramopoulos, Heribert Reis, Steven Vancoillie, 2013, Chemistry.

The (hyper)polarizabilities of AuXeF and XeAuF

M. Papadopoulos, V. Kellö, A. Avramopoulos, 2009 .

Significant nonlinear‐optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study

Aggelos Avramopoulos, Claude Pouchan, Panaghiotis Karamanis, 2014, J. Comput. Chem..

Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions

Manthos G. Papadopoulos, Aggelos Avramopoulos, Claude Pouchan, 2012, J. Comput. Chem..

Synthesis and non-linear optical properties of some novel nickel derivatives

A. Tasiopoulos, M. Papadopoulos, S. Couris, 2010 .

Mechanisms of Polarization

M. Papadopoulos, A. Avramopoulos, H. Reis, 2014 .

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. Nandi, Paramita Banerjee, A. Avramopoulos, 2019, Chemical Physics Letters.

On the origin of the large electron correlation contribution to the hyperpolarizabilities of some diacetylene rare gas compounds.

J. Leszczynski, M. Papadopoulos, A. Avramopoulos, 2008, The Journal of chemical physics.

Linear and nonlinear optical properties of some organoxenon derivatives.

L. Serrano-Andrés, Jiabo Li, M. Papadopoulos, 2007, The Journal of chemical physics.

Computer Simulation of the Nonlinear Optical Properties of Langmuir–Blodgett Films of a Squaraine Derivative

G. Megariotis, M. Papadopoulos, A. Avramopoulos, 2012 .

A computational study of photonic materials based on Ni bis(dithiolene) fused with benzene, possessing gigantic second hyperpolarizabilities

M. Papadopoulos, P. Karamanis, Nicolás Otero, 2018 .

A Series of Novel Derivatives with Giant Second Hyperpolarizabilities, Based on Radiaannulenes, Tetrathiafulvalene, Nickel Dithiolene, and Their Lithiated Analogues

C. Pouchan, M. Papadopoulos, P. Karamanis, 2016 .

A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C60 or a Nucleobases.

C. Pouchan, M. Papadopoulos, P. Karamanis, 2016, The journal of physical chemistry. A.

Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene.

Aggelos Avramopoulos, Ireneusz W Bulik, Wojciech Bartkowiak, 2010, The Journal of chemical physics.

Linear and nonlinear optical properties of [60]fullerene derivatives.

M G Papadopoulos, B. Kirtman, M. Papadopoulos, 2009, The journal of physical chemistry. A.

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities

Manthos G. Papadopoulos, Aggelos Avramopoulos, Bernard Kirtman, 2013, J. Comput. Chem..

A systematic study of the linear and non-linear optical properties of small molecules and clusters: The correlation, vibrational and relativistic contributions

M. Papadopoulos, A. Alparone, A. Avramopoulos, 2006 .

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, M. G. Papadopoulos, 2002 .

Relativistic effects on interaction-induced electric properties of weakly interacting systems: The HF…AuH dimer

M. Papadopoulos, A. J. Sadlej, A. Avramopoulos, 2002 .

Critical assessment of density functional theory for computing vibrational (hyper)polarizabilities

Mikolaj M. Mikolajczyk, Ireneusz W. Bulik, B. Kirtman, 2012 .

A comparative study of the dipole polarizability of some Zn clusters.

S. Erkoç, M. Papadopoulos, A. Avramopoulos, 2005, The journal of physical chemistry. B.

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

M. Papadopoulos, A. Avramopoulos, H. Reis, 2003 .

On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF

Manthos G. Papadopoulos, Aggelos Avramopoulos, Heribert Reis, 2013, J. Comput. Chem..

Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model study

M. Papadopoulos, M. Jabłoński, A. J. Sadlej, 2006 .

Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?

Jerzy Leszczynski, Tomasz Puzyn, Manthos G. Papadopoulos, 2017, Structural Chemistry.

A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes.

Manthos G. Papadopoulos, Georgios Leonis, Aggelos Avramopoulos, 2015, The journal of physical chemistry. B.

Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes

Serdar Durdagi, Manthos G. Papadopoulos, Georgios Leonis, 2014, J. Chem. Inf. Model..

Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+

Manthos G. Papadopoulos, Oleksandr Loboda, Aggelos Avramopoulos, 2011, J. Comput. Chem..

Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation

M. Papadopoulos, R. Zaleśny, A. Avramopoulos, 2023, Molecules.

Compilation of Data and Modelling of Nanoparticle Interactions and Toxicity in the NanoPUZZLES Project.

Emilio Benfenati, Tomasz Puzyn, Georgios Leonis, 2017, Advances in experimental medicine and biology.