Aggelos Avramopoulos

发表

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..

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..

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..

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

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

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

Manthos G. Papadopoulos, Aggelos Avramopoulos, Bernard Kirtman, 2013, 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..

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.

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.

Linear—Scaling Calculations of Linear and Nonlinear Optical Properties of [60]fullerene Derivatives

Manthos G. Papadopoulos, Oleksandr Loboda, Aggelos Avramopoulos, 2009 .

Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes

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

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.

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.

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.

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.