Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study
Panaghiotis Karamanis
,
Nicolas Otero
,
Claude Pouchan
,
J.J. Torres
,
W. Tiznado
et al.
Journal articles
istex
hal-01598674v1
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Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability
Nicolas Otero
,
C. van Alsenoy
,
Claude Pouchan
,
Panaghiotis Karamanis
Journal articles
istex
hal-01598671v1
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Electric property variations in nanosized hexagonal boron nitride/graphene hybrids
Panaghiotis Karamanis
,
Nicolas Otero
,
Claude Pouchan
Journal articles
hal-01598672v1
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Comment on "planar tetra-coordinate carbon resulting in enhanced third-order nonlinear optical response of metal-terminated graphene nanoribbons" by G.-L. Chai, C.-S. Lin and W.-D. Cheng, J. Mater. Chem., 2012, 22, 11303
Panaghiotis Karamanis
,
Nicolas Otero
,
Claude Pouchan
Journal articles
hal-01598680v1
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On the shape dependence of cluster (hyper)polarizabilities. A combined ab initio and DFT study on large fullerene-like gallium arsenide semiconductor clusters
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
istex
hal-01598693v1
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Third order non-linear optical susceptibilities ( χ 3 ) of yttria stabilized cubic hafnium(IV) oxide
Hassan Denawi
,
Jacques Demarais
,
C.S. Praveen
,
Michel Rérat
,
Panaghiotis Karamanis
et al.
Journal articles
hal-03418749v1
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A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C _\textrm60 or a Nucleobases
Aggelos Avramopoulos
,
Nicolas Otero
,
Panaghiotis Karamanis
,
Claude Pouchan
,
Manthos G. Papadopoulos
et al.
Journal articles
hal-01494462v1
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Second-hyperpolarizability (γ) enhancement in metal-decorated zigzag graphene flakes and ribbons: The size effect
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01598677v1
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Evolution of properties in prolate (GaAs) n clusters
Panaghiotis Karamanis
,
Claude Pouchan
,
C.A. Weatherford
,
G.L. Gutsev
Journal articles
hal-01598695v1
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Third Order Nonlinear Optical Susceptibility of Crystalline Oxide Yttria-Stabilized Zirconia
Guillaume Marcaud
,
Samuel Serna
,
Panaghiotis Karamanis
,
Carlos Alonso-Ramos
,
Xavier Le Roux
et al.
Journal articles
hal-02389837v1
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Vibrational Spectrum of ‘3-iodo-2-propynenitrile (IC3N)’ from accurate CCSD(T)-F12b/MP2-F12 potential energy surface
Claude Pouchan
,
Alain Dargelos
,
Panaghiotis Karamanis
Journal articles
hal-03864043v1
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Quadratic nonlinear optical (NLO) properties of borazino (B3N3)-doped nanographenes
Nicolas Otero
,
Claude Pouchan
,
Panaghiotis Karamanis
Journal articles
hal-01598669v1
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A computational study of photonic materials based on Ni bis(dithiolene) fused with benzene, possessing gigantic second hyperpolarizabilities
A. Avramopoulos
,
N. Otero
,
H. Reis
,
Panaghiotis Karamanis
,
M.G. Papadopoulos
et al.
Journal articles
hal-01712793v1
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Prediction of biodegradability of aromatics in water using QSAR modeling
M. Cvetnic
,
D. Juretic Perisic
,
M. Kovacic
,
H. Kusic
,
J. Dermadi
et al.
Journal articles
hal-01535438v1
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Dipole Polarizability of C 28 and its Counterparts Nb 4 B 18 and Ta 4 B 18 . Insights from a Density Functional Theory (DFT) Endeavour
Demetrios Xenides
,
Panaghiotis Karamanis
Conference: 10th International Conference on Mathematical Modeling in Physical Sciences , IC-MSQUARE, Sep 2021, Tinos Island, Greece
Conference papers
hal-03452811v1
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Ab-initio calculations of the IR spectra of dicyanodiacetylene (C6N2) beyond the harmonic approximation
Alain Dargelos
,
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-02093880v1
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Electro-optic properties of ZrO 2 , HfO 2 and LiNbO 3 ferroelectric phases: A comprehensive and comparative study with density functional theory
Ali El Boutaybi
,
Panaghiotis Karamanis
,
T Maroutian
,
Sylvia Matzen
,
Laurent Vivien
et al.
2022
Preprints, Working Papers, ...
hal-03864160v1
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Exploring the Linear Optical Properties of Borazine (B3N3) Doped Graphenes. 0D Flakes vs 2D Sheets.
Nicolas Otero
,
Panaghiotis Karamanis
,
Khaled E. El-Kelany
,
Michel Rérat
,
Lorenzo Maschio
et al.
Journal articles
hal-01481308v1
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How many shades of grey? On the proximity of density functional approximation to ab initio method via calculations of electric multipole moments
Demetrios Xenides
,
Panaghiotis Karamanis
International Journal of Modern Physics: Conference Series , 2021, 9th International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) 2020 7-10 September 2020, Tinos island, Greece, 1730, pp.012126.
⟨10.1088/1742-6596/1730/1/012126⟩
Journal articles
hal-03451227v1
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A new method to analyze and understand molecular linear and nonlinear optical responses via field-induced functions: a straightforward alternative to sum-over-states (SOS) analysis
Nicolas Otero
,
Panaghiotis Karamanis
,
Marcos Mandado
Journal articles
hal-02094772v1
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Establishing the pivotal role of local aromaticity in the electronic properties of boron-nitride graphene lateral hybrids
Nicolas Otero
,
K.E. El-Kelany
,
Claude Pouchan
,
Michel Rérat
,
Panaghiotis Karamanis
et al.
Journal articles
hal-01500049v1
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Fullerene-C 60 in contact with alkali metal clusters: Prototype nano-objects of enhanced first hyperpolarizabilities
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01598685v1
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How do the available density functionals perform on the calculation of eigenvalues of frontier to deeper orbitals? A metric space evaluation of experimental and quantum chemical findings
Demetrios Xenides
,
Panaghiotis Karamanis
Journal articles
hal-03722867v1
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Structures and Electric Properties of Semiconductor clusters
Panaghiotis Karamanis
Leszczynski, Jerzy and Kaczmarek-Kedziera, Anna and Puzyn, Tomasz and G. Papadopoulos, Manthos and Reis, Heribert and K. Shukla, Manoj.
Handbook of Computational Chemistry ,
Springer International Publishing , pp.1097-1137, 2017,
⟨10.1007/978-3-319-27282-5_20⟩
Book sections
hal-01790752v1
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Hirshfeld-based atomic population analysis of the B, N doping effect in zigzag graphene nanoribbons: π electron density as requirement to follow the B, N doping guidelines
Nicolas Otero
,
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01689444v1
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A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the SimGen (m + n = 7, n = 0-7) clusters
D. Xenides
,
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01598704v1
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Degradation of polar and non-polar pharmaceutical pollutants in water by solar assisted photocatalysis using hydrothermal TiO2-SnS2
Marin Kovacic
,
Josipa Papac
,
Hrvoje Kusic
,
Panaghiotis Karamanis
,
Ana Loncaric Bozic
et al.
Journal articles
hal-02389108v1
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Theoretical Investigation of the Infrared Spectrum of 5-Bromo-2,4-pentadiynenitrile from a CCSD(T)/B3LYP Anharmonic Potential
Alain Dargelos
,
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01803795v1
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Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9)
Panaghiotis Karamanis
,
Didier Bégué
,
Claude Pouchan
Journal articles
hal-01598723v1
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Hyperpolarizability of GaAs dimer is not negative
G. Maroulis
,
Panaghiotis Karamanis
,
Claude Pouchan
Journal articles
hal-01598725v1
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