Panaghiotis Karamanis

Publications

Article dans une revue (70)

Simultaneous speciation of iodine-, gadolinium-, and platinum-based pharmaceuticals by HILIC-ICP-MS and its application to wastewaters Joseph Côme,Maïté Bueno,Panaghiotis Karamanis,Florence Pannier,Sandra Mounicou Talanta, 2026, 298, pp.128974. ⟨10.1016/j.talanta.2025.128974⟩ Article dans une revue hal-05356041v1
Nematocidal Activities of Protonated Benzimidazolyl Chalcone Using Quantitative Structure-Activity Relationship Kone Mamadou Guy-Richard,Dembele Georges Stéphane,Ouattara Bafétigué,Panaghiotis Karamanis,Ziao Nahossé Computational Molecular Bioscience, 2025, 15 (1), pp.1-17. ⟨10.4236/cmb.2025.151001⟩ Article dans une revue hal-04977349v1
Colossal vertical conductivity enhancement in graphene by wrinkle engineering Marinos Dimitropoulos,Emilia Papasouli,Anastasios Manikas,Christos Tsakonas,Michel Rératet al. Materials Today Nano, 2025, 29, pp.100575. ⟨10.1016/j.mtnano.2025.100575⟩ Article dans une revue hal-04906744v1
Shedding light on the HSAB-guided sulfur–selenium antagonism in mercury coordination and reactivity toward biologically relevant systems: a DFT and MD study Pietro Delre,Ali Chahine,Giuseppe Felice Mangiatordi,Domenico Alberga,Michele Savianoet al. Physical Chemistry Chemical Physics, 2025, 27 (31), pp.16644-16663. ⟨10.1039/d5cp01736j⟩ Article dans une revue hal-05225739v1
Multinuclear Silver(I)–Selenium Clusters Formation in Selenopeptides Tshering Zangmo,Paulina Szczerba,Ioannis Kanavos,Alejandro Gutiérrez-Quintanilla,Karinne Miqueuet al. Inorganic Chemistry, 2025, 64 (11), pp.5348-5353. ⟨10.1021/acs.inorgchem.4c04867⟩ Article dans une revue hal-05022734v1
Ferroelectricity in Epitaxial Tetragonal ZrO2 Thin Films Ali El Boutaybi,Thomas Maroutian,Ludovic Largeau,Nathaniel Findling,Jean‐blaise Brubachet al. Advanced Electronic Materials, 2024, 10 (1), pp.2300516. ⟨10.1002/aelm.202300516⟩ Article dans une revue hal-04249620v1
Fragmentation of polypropylene into microplastics promoted by photo-aging; release of metals, toxicity and inhibition of biodegradability Josipa Papac Zjacić,Zvonimir Katančić,Marin Kovacic,Hrvoje Kusic,Zlata Hrnjak Murgićet al. Science of the Total Environment, 2024, 935, pp.173344. ⟨10.1016/j.scitotenv.2024.173344⟩ Article dans une revue hal-04580567v1
Theoretical Study of the Stability and Chemical Reactivity of a Series of Dihydropyrazoles with Antiproliferative Activities Mamadou Guy-Richard Kone,Lamoussa Ouattara,Kouakou Nobel N’guessan,Georges Stéphane Dembele,Panaghiotis Karamaniset al. Chemical Science International Journal, 2024, 33 (6), pp.102-113. ⟨10.9734/CSJI/2024/v33i6929⟩ Article dans une revue hal-05086129v1
Experimental and computational insights into the mechanism of destabilization of poly(acrylic acid)-capped silver nanoparticles induced by weak conjugate bases Marin Kovačić,Irena Ivanišević,Antonia Ressler,Panaghiotis Karamanis Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 690, pp.133739. ⟨10.1016/j.colsurfa.2024.133739⟩ Article dans une revue hal-04580732v1
Nanoarchitectonics of fluorescent gold nanoclusters: A platform for image guided photodynamic therapy of hypoxic tumor A.N Resmi,S Sivaselvam,C.R Rekha,Emilia Papasouli,Jibin Kunnumpurathuet al. Applied Materials Today, 2024, 39, pp.102273. ⟨10.1016/j.apmt.2024.102273⟩ Article dans une revue hal-04606218v1
An Atomic‐Level Perspective on the interactions between Organic Pollutants and PET particles: A Comprehensive Computational and DFT Investigation Anamarija Pulitika,Panagiotis Karamanis,Marin Kovačić,Ana Lončarić Božić,Hrvoje Kušić ChemPhysChem, 2024, pp.e202300854. ⟨10.1002/cphc.202300854⟩ Article dans une revue hal-04400418v1
On the Optical Properties of Diamino-Pillared Graphene Architectures Emilia Papasouli,Nicolás Otero,Jacques Desmarais,Hassan Denawi,Demetrios Xenideset al. Journal of Physical Chemistry C, 2023, 127 (14), pp.6959-6973. ⟨10.1021/acs.jpcc.3c00553⟩ Article dans une revue hal-04062117v1
Design of New Thiadiazole Derivatives with Improved Antidiabetic Activity Chiépi Nadège Dominique Dou,Georges Stéphane Dembele,Mamadou Guy-Richard Kone,Nanou Tiéba Tuo,Fandia Konateet al. Journal of Computational Chemistry, 2023, 11 (03), pp.67 - 80. ⟨10.4236/cc.2023.113005⟩ Article dans une revue hal-04239093v1
Ferroelectric ZrO 2 phases from infrared spectroscopy Ali El Boutaybi,Rebecca Cervasio,Alban Degezelle,Thomas Maroutian,Jean-Blaise Brubachet al. Journal of Materials Chemistry C, 2023, 11 (32), pp.10931-10941. ⟨10.1039/d3tc01985c⟩ Article dans une revue hal-04239037v1
trans -Hydroalkynylation of Internal 1,3-Enynes Enabled by Cooperative Catalysis Ziyong Wang,Chen Zhang,Jason Wu,Bo Li,Anna Chrostowskaet al. Journal of the American Chemical Society, 2023, 145 (10), pp.5624-5630. ⟨10.1021/jacs.3c00514⟩ Article dans une revue hal-04226610v1
PCHHAX Study of the Chemical Reactivity of a Series of Halogen-Substituted Imidazole- Thiosemicarbazides Using Density Functional Theory Mamadou Guy-Richard Koné,Georges Stéphane Dembélé,Adama Niaré,Bafétigué Ouattara,Panaghiotis Karamaniset al. Der pharma chemica, 2023, ⟨10.4172/0975-413X.15.2.1-10⟩ Article dans une revue hal-04239304v1
Between electron delocalization and low-lying excited states of BN-doped aromatic hydrocarbons Chen Zhang,Anna Chrostowska,Shih-Yuan Liu,Panaghiotis Karamanis,Nicolás Otero Chemical Physics Letters, 2023, 825, pp.140615. ⟨10.1016/j.cplett.2023.140615⟩ Article dans une revue hal-04109523v1
Structural Features Promoting Photocatalytic Degradation of Contaminants of Emerging Concern: Insights into Degradation Mechanism Employing QSA/PR Modeling Antonija Tomic,Marin Kovacic,Hrvoje Kusic,Panaghiotis Karamanis,Bakhtiyor Rasulevet al. Molecules, 2023, 28, pp.2443. ⟨10.3390/molecules28062443⟩ Article dans une revue hal-04018199v1
Characterisation of the Molecular Lipophilicity of a Series of Seven Benzymidazolyl-Chalcone Molecules with Anthelmintic Activities François Kadjo Kassi,Mamadou Guy-Richard Kone,Bafétigué Ouattara,Georges Stéphane Dembele,Panaghiotis Karamaniset al. International Journal of Chemistry, 2023, 15 (1), pp.1. ⟨10.5539/ijc.v15n1p1⟩ Article dans une revue hal-04239311v1
Modeling of a Series of Dihydropyrazole Derivatives with Antiproliferative Activity by Quantum Chemical Methods Mamadou Guy-Richard Koné,Georges Stéphane Dembélé,Bafétigué Ouattara,Adama Niaré,N’nan Akau Amandine Kouaméet al. Chemical Science International Journal, 2023, 32 (4), pp.24-38. ⟨10.9734/CSJI/2023/v32i4852⟩ Article dans une revue hal-04239000v1
Studies of the Chemical Reactivity of a Series of Benzimidazolyl-Chalcone by Quantum Chemical Approaches Mamadou Guy-Richard Koné,Affoué Lucie Bédé,Bafétigué Ouattara,Georges Stéphane Dembélé,Panaghiotis Karamaniset al. Journal of Drug Delivery and Therapeutics, 2023, 13 (10), pp.46-53. ⟨10.22270/jddt.v13i10.5970⟩ Article dans une revue hal-04249856v1
Electro-optic properties of ZrO2 , HfO2 , and LiNbO3 ferroelectric phases: A comprehensive and comparative study with density functional theory Ali El Boutaybi,Panaghiotis Karamanis,Thomas Maroutian,Sylvia Matzen,Laurent Vivienet al. Physical Review B, 2023, 107 (4), pp.045140. ⟨10.1103/PhysRevB.107.045140⟩ Article dans une revue hal-03960592v1
Theoretical Characterization of The Protonation Sites of Mycolactones A/B and C by The Oniom Method François Kassi Kadjo,Sopi Thomas Affi,Yao Silvère Diki N’guessan,Mamadou Guy-Richard Koné,Georges Stéphane Dembéléet al. World Scientific News, 2023, 177 (2), pp.36 Article dans une revue hal-04239278v1
Vibrational Spectrum of ‘3-iodo-2-propynenitrile (IC3N)’ from accurate CCSD(T)-F12b/MP2-F12 potential energy surface Claude Pouchan,Alain Dargelos,Panaghiotis Karamanis Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2022, 141 (11), pp.64. ⟨10.1007/s00214-022-02923-4⟩ Article dans une revue hal-03864043v1
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 Chemical Physics, 2022, 561, pp.111600. ⟨10.1016/j.chemphys.2022.111600⟩ Article dans une revue hal-03722867v1
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 Chemical Physics Letters, 2021, 785, pp.139157. ⟨10.1016/j.cplett.2021.139157⟩ Article dans une revue hal-03418749v1
Electronic and magnetic properties of yttria-stabilized zirconia (6.7 mol% in Y2O3) doped with Er3+ ions from first-principle computations Hassan Denawi,Panaghiotis Karamanis,Michel Rérat Journal of Materials Science, 2021, 56, pp.8014-8023. ⟨10.1007/s10853-021-05793-6⟩ Article dans une revue hal-03128051v1
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⟩ Article dans une revue hal-03451227v1
Third Order Nonlinear Optical Susceptibility of Crystalline Oxide Yttria-Stabilized Zirconia Guillaume Marcaud,Samuel Serna,Panaghiotis Karamanis,Carlos Alonso-Ramos,Xavier Le Rouxet al. Photonics research, 2020, 8 (2), pp.110-120. ⟨10.1364/PRJ.8.000110⟩ Article dans une revue hal-02389837v1
From Pyridine Adduct of Borabenzene to (in)finite Graphene Architectures Functionalized with N→B Dative Bonds. Prototype Systems of Strong One and Two Photon Quantum Transitions Triggering Large Nonlinear Optical Responses Panaghiotis Karamanis,Nicolás Otero,Demetrios Xenides,Hassan Denawi,Marcos Mandadoet al. Journal of Physical Chemistry C, 2020, 124, pp.21063-21074. ⟨10.1021/acs.jpcc.0c05190⟩ Article dans une revue hal-02935781v1
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 Chemical Engineering Journal, 2019, pp.122826. ⟨10.1016/j.cej.2019.122826⟩ Article dans une revue hal-02389108v1
Polyaromatic Systems Combining Increasing Optical Gaps and Amplified Nonlinear Optical Properties. A Comprehensive Theoretical Study on B 3 N 3 Doped Nanographenes Panaghiotis Karamanis,Nickolas Charistos,Michael Sigalas,Michel Rérat Journal of Physical Chemistry C, 2019, 123 (34), pp.21135-21149. ⟨10.1021/acs.jpcc.9b05543⟩ Article dans une revue hal-02287378v1
Ab-initio calculations of the IR spectra of dicyanodiacetylene (C6N2) beyond the harmonic approximation Alain Dargelos,Panaghiotis Karamanis,Claude Pouchan Chemical Physics Letters, 2019, 723, pp.155-159. ⟨10.1016/j.cplett.2019.03.038⟩ Article dans une revue hal-02093880v1
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 Physical Chemistry Chemical Physics, 2019, 21 (11), pp.6274-6286. ⟨10.1039/C8CP07362G⟩ Article dans une revue hal-02094772v1
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 ChemPhysChem, 2018, 19 (7), pp.822 - 826. ⟨10.1002/cphc.201701322⟩ Article dans une revue hal-01803795v1
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 Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (2), ⟨10.1007/s00214-017-2189-5⟩ Article dans une revue hal-01689444v1
Ab initio calculation of nonlinear optical properties for chiral carbon nanotubes. Second harmonic generation and dc-Pockels effect Michel Rérat,Panaghiotis Karamanis,B. Civalleri,L. Maschio,V. Lacivitaet al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (2), pp.1-15. ⟨10.1007/s00214-017-2187-7⟩ Article dans une revue hal-01689447v1
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 Journal of Materials Chemistry C, 2018, 6 (1), pp.91-110. ⟨10.1039/c7tc05047j⟩ Article dans une revue hal-01712793v1
Quadratic nonlinear optical (NLO) properties of borazino (B3N3)-doped nanographenes Nicolas Otero,Claude Pouchan,Panaghiotis Karamanis Journal of Materials Chemistry C, 2017, 5 (32), pp.8273-8287. ⟨10.1039/c7tc01963g⟩ Article dans une revue hal-01598669v1
Prediction of biodegradability of aromatics in water using QSAR modeling M. Cvetnic,D. Juretic Perisic,M. Kovacic,H. Kusic,J. Dermadiet al. Ecotoxicology and Environmental Safety, 2017, 139, pp.139-149. ⟨10.1016/j.ecoenv.2017.01.031⟩ Article dans une revue hal-01535438v1
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 Maschioet al. Journal of Physical Chemistry C, 2017, 121, pp.709-722. ⟨10.1021/acs.jpcc.6b10837⟩ Article dans une revue hal-01481308v1
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 Journal of Physical Chemistry A, 2016, 120 (2), pp.284--298. ⟨10.1021/acs.jpca.5b09813⟩ Article dans une revue hal-01494462v1
A series of novel derivatives with giant second hyperpolarizabilities, based on radiaannulenes, tetrathiafulvalene, nickel dithiolene, and their lithiated analogues A. Avramopoulos,H. Reis,Nicolas Otero,Panaghiotis Karamanis,Claude Pouchanet al. Journal of Physical Chemistry C, 2016, 120 (17), pp.9419--9435. ⟨10.1021/acs.jpcc.6b02131⟩ Article dans une revue hal-01498751v1
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 Physical Chemistry Chemical Physics, 2016, 18 (36), pp.25315--25328. ⟨10.1039/c6cp04502b⟩ Article dans une revue hal-01500049v1
Electric property variations in nanosized hexagonal boron nitride/graphene hybrids Panaghiotis Karamanis,Nicolas Otero,Claude Pouchan Journal of Physical Chemistry C, 2015, 119 (21), pp.11872-11885. ⟨10.1021/acs.jpcc.5b02793⟩ Article dans une revue hal-01598672v1
Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability Nicolas Otero,C. van Alsenoy,Claude Pouchan,Panaghiotis Karamanis Journal of Computational Chemistry, 2015, 36 (24), pp.1831-1841. ⟨10.1002/jcc.24003⟩ Article dans une revue istex hal-01598671v1
Unleashing the quadratic nonlinear optical responses of graphene by confining white-graphene (h -BN) sections in its framework Panaghiotis Karamanis,Nicolas Otero,Claude Pouchan Journal of the American Chemical Society, 2014, 136 (20), pp.7464-7473. ⟨10.1021/ja502631w⟩ Article dans une revue hal-01598675v1
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. Tiznadoet al. Journal of Computational Chemistry, 2014, 35 (11), pp.829-838. ⟨10.1002/jcc.23549⟩ Article dans une revue istex hal-01598674v1
Comment on &quot;planar tetra-coordinate carbon resulting in enhanced third-order nonlinear optical response of metal-terminated graphene nanoribbons&quot; by G.-L. Chai, C.-S. Lin and W.-D. Cheng, J. Mater. Chem., 2012, 22, 11303 Panaghiotis Karamanis,Nicolas Otero,Claude Pouchan Journal of Materials Chemistry C, 2013, 1 (17), pp.3035-3040. ⟨10.1039/c3tc00922j⟩ Article dans une revue hal-01598680v1
Ab initio periodic simulation of the spectroscopic and optical properties of novel porous graphene phases M. de La Pierre,Panaghiotis Karamanis,J. Baima,Roberto Orlando,Claude Pouchanet al. Journal of Physical Chemistry C, 2013, 117 (5), pp.2222-2229. ⟨10.1021/jp3103436⟩ Article dans une revue hal-01598678v1
Electric response properties of neutral and charged Al13X (X=Li, Na, K) magic clusters. A comprehensive ab initio and density functional comparative study Nicolas Otero,C. van Alsenoy,Panaghiotis Karamanis,Claude Pouchan Computational and Theoretical Chemistry, 2013, 1021, pp.114-123. ⟨10.1016/j.comptc.2013.06.037⟩ Article dans une revue istex hal-01598682v1
Second-hyperpolarizability (γ) enhancement in metal-decorated zigzag graphene flakes and ribbons: The size effect Panaghiotis Karamanis,Claude Pouchan Journal of Physical Chemistry C, 2013, 117 (6), pp.3134-3140. ⟨10.1021/jp3114682⟩ Article dans une revue hal-01598677v1
Erratum: Comment on:&quot;Planar tetra-coordinate carbon resulting in enhanced third-order nonlinear optical response of metal-terminated graphene nanoribbons.&quot; (Journal of Materials Chemistry C (2013) 1 (3035-3040) DOI: 10.1039/C3TC00922J) Panaghiotis Karamanis,Nicolas Otero,Claude Pouchan Journal of Materials Chemistry C, 2013, 1 (48), pp.8223. ⟨10.1039/c3tc90148c⟩ Article dans une revue hal-01598683v1
Comment on &quot;How the number and location of lithium atoms affect the first hyperpolarizability of graphene Panaghiotis Karamanis,Claude Pouchan Journal of Physical Chemistry C, 2013, 117 (1), pp.721-724. ⟨10.1021/jp3057256⟩ Article dans une revue hal-01598679v1
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions E.N. Koukaras,A.D. Zdetsis,Panaghiotis Karamanis,Claude Pouchan,A. Avramopouloset al. Journal of Computational Chemistry, 2012, 33 (10), pp.1068-1079. ⟨10.1002/jcc.22938⟩ Article dans une revue istex hal-01598686v1
Fullerene-C 60 in contact with alkali metal clusters: Prototype nano-objects of enhanced first hyperpolarizabilities Panaghiotis Karamanis,Claude Pouchan Journal of Physical Chemistry C, 2012, 116 (21), pp.11808-11819. ⟨10.1021/jp3026573⟩ Article dans une revue hal-01598685v1
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 International Journal of Quantum Chemistry, 2011, 111 (4), pp.788-796. ⟨10.1002/qua.22854⟩ Article dans une revue istex hal-01598693v1
Evolution of properties in prolate (GaAs) n clusters Panaghiotis Karamanis,Claude Pouchan,C.A. Weatherford,G.L. Gutsev Journal of Physical Chemistry C, 2011, 115 (1), pp.97-107. ⟨10.1021/jp107720m⟩ Article dans une revue hal-01598695v1
Doping-enhanced hyperpolarizabilities of silicon clusters: A global ab initio and density functional theory study of Si10 (Li, Na, K) n (n 1, 2) clusters Panaghiotis Karamanis,Rémi Marchal,Philippe Carbonnière,Claude Pouchan The Journal of Chemical Physics, 2011, 135 (4), ⟨10.1063/1.3615499⟩ Article dans une revue hal-01598698v1
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 Chemical Physics Letters, 2010, 498 (1-3), pp.134-139. ⟨10.1016/j.cplett.2010.08.050⟩ Article dans une revue istex hal-01598704v1
Doping effects on the electric response properties of silicon clusters: A global structure-property investigation of AlSin-1 clusters (n = 3-10) Panaghiotis Karamanis,Rémi Marchal,Philippe Carbonnière,Claude Pouchan Chemical Physics Letters, 2010, 500 (1-3), pp.59-64. ⟨10.1016/j.cplett.2010.09.074⟩ Article dans une revue istex hal-01598703v1
How large are the microscopic electronic dipole (hyper)polarizabilities of CdnTen bare clusters compared to those of CdnSn and CdnSen? A systematic ab initio study Panaghiotis Karamanis,Claude Pouchan Chemical Physics Letters, 2009, 474 (1-3), pp.162-167. ⟨10.1016/j.cplett.2009.04.047⟩ Article dans une revue istex hal-01598706v1
Structures and composition-dependent polarizabilities of open- and closed-shell Gan Asm semiconductor clusters Panaghiotis Karamanis,Philippe Carbonnière,Claude Pouchan Physical Review A, 2009, 80 (5), ⟨10.1103/PhysRevA.80.053201⟩ Article dans une revue hal-01598710v1
Electric dipole (hyper)polarizabilities of selected X2Y 2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study Panaghiotis Karamanis,Claude Pouchan,J. Leszczynskr Journal of Physical Chemistry A, 2008, 112 (51), pp.13662-13671. ⟨10.1021/jp8071603⟩ Article dans une revue istex hal-01598719v1
Structure, stability, dipole polarizability and differential polarizability in small gallium arsenide clusters from all-electron ab initio and density-functional-theory calculations Panaghiotis Karamanis,Claude Pouchan,G. Maroulis Physical Review A, 2008, 77 (1), ⟨10.1103/PhysRevA.77.013201⟩ Article dans une revue hal-01598717v1
Hyperpolarizability of GaAs dimer is not negative G. Maroulis,Panaghiotis Karamanis,Claude Pouchan The Journal of Chemical Physics, 2007, 126 (15), ⟨10.1063/1.2723116⟩ Article dans une revue hal-01598725v1
Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9) Panaghiotis Karamanis,Didier Bégué,Claude Pouchan The Journal of Chemical Physics, 2007, 127 (9), ⟨10.1063/1.2768365⟩ Article dans une revue hal-01598723v1
A critical analysis of the performance of conventional ab initio and DFT methods in the computation of Si6 ground state Panaghiotis Karamanis,D. Zhang-Negrerie,Claude Pouchan Chemical Physics, 2007, 331 (2-3), pp.417-426. ⟨10.1016/j.chemphys.2006.11.013⟩ Article dans une revue istex hal-01598720v1
Basis set and electron correlation effects in all-electron ab initio calculations of the static dipole polarizability of small cadmium selenide clusters, (CdSe)n, n = 1,2,3,4 Panaghiotis Karamanis,G. Maroulis,Claude Pouchan Chemical Physics, 2006, 331 (1), pp.19-25. ⟨10.1016/j.chemphys.2006.09.038⟩ Article dans une revue istex hal-01598734v1
Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density Functional Theory calculations Panaghiotis Karamanis,G. Maroulis,Claude Pouchan The Journal of Chemical Physics, 2006, 124 (7), ⟨10.1063/1.2173236⟩ Article dans une revue hal-01598731v1

Communication dans un congrès (6)

Hybrid photonics for overcoming the limitations of silicon (Conference Presentation) Ana-Maria Statie,Pablo Bedoya-Ríos,Clément Ben Braham,Alicia Ruiz-Caridad,Ali El Boutaybiet al. SPIE Optics + Optoelectronics, Apr 2025, Prague, Czech Republic. pp.1, ⟨10.1117/12.3060268⟩ Communication dans un congrès hal-05373434v1
Hybrid integration of crystalline doped oxides on silicon photonics platform for optical communications (Conference Presentation) Ana-Maria Statie,Alicia Ruiz-Caridad,Ali El Boutaybi,Christian Lafforgue,Guillaume Marcaudet al. Optical Interconnects and Packaging 2025, Jan 2025, San Francisco, United States. pp.20, ⟨10.1117/12.3046935⟩ Communication dans un congrès hal-05019775v1
On the possible chemical similarity of some common antiepileptic drugs Demetrios Xenides,Panaghiotis Karamanis 11th International Conference on Mathematiical Modeling in Physical Sciences, MSQUARE, Sep 2022, Belgrade, Serbia. pp.1200-1217, ⟨10.1063/5.0162920⟩ Communication dans un congrès hal-04226138v1
Potential of ZrO2 and HfO2 materials for nonlinear optical applications: First-principles study and experimental challenges Ali El Boutaybi,T Maroutian,Sylvia Matzen,Laurent Vivien,Panaghiotis Karamaniset al. SPIE OPTO 2023, Mar 2023, San Francisco, United States. pp.64, ⟨10.1117/12.2663074⟩ Communication dans un congrès hal-04168843v1
Dipole Polarizability of C28 and its Counterparts Nb4B18 and Ta4B18. Insights from a Density Functional Theory (DFT) Endeavour Demetrios Xenides,Panaghiotis Karamanis 10th International Conference on Mathematical Modeling in Physical Sciences, Sep 2021, Tinos Island, Greece. ⟨10.1088/1742-6596/2090/1/012172⟩ Communication dans un congrès hal-03451208v1
Is there any connection between the (Hyper) polarizabilities of the ground state structures of clusters and those of their low lying isomers? a case study of aluminum doped silicon clusters Panaghiotis Karamanis,Rémi Marchal,Philippe Carbonnière,Claude Pouchan International Conference of Computational Methods in Sciences and Engineering, 2012, Unknown, Unknown Region. pp.679-682, ⟨10.1063/1.4771786⟩ Communication dans un congrès hal-01598691v1

Poster de conférence (1)

Quantum Chemical Rational Design of Organic Thermoelectric Materials Ali Chahine,Jean-Marc Sotiropoulos,Panagiotis Karamanis Math Comp Chem 36 international conference, Jun 2025, Dubrovnik ( Inter-University Centre of Zagreb in Dubrovnik), Croatia. 44, pp.227 - 237, 2011, ⟨10.1021/ar1001318⟩ Poster de conférence hal-05457518v1

Chapitre d'ouvrage (1)

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⟩ Chapitre d'ouvrage hal-01790752v1

Pré-publication, Document de travail (1)

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 Vivienet al. 2022 Pré-publication, Document de travail hal-03864160v1