Agisilaos Chantzis
Agisilaos Chantzis
Computational Chemist at GTN LTD
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Is the Tamm-Dancoff approximation reliable for the calculation of absorption and fluorescence band shapes?
A Chantzis, AD Laurent, C Adamo, D Jacquemin
Journal of chemical theory and computation 9 (10), 4517-4525, 2013
A Database of Dispersion-Induction DI, Electrostatic ES, and Hydrogen Bonding α1 and β1 Solvent Parameters and Some Applications to the Multiparameter …
C Laurence, J Legros, A Chantzis, A Planchat, D Jacquemin
The Journal of Physical Chemistry B 119 (7), 3174-3184, 2015
Boron difluorides with formazanate ligands: redox-switchable fluorescent dyes with large stokes shifts
MC Chang, A Chantzis, D Jacquemin, E Otten
Dalton Transactions 45 (23), 9477-9484, 2016
Sequential double second-order nonlinear optical switch by an acido-triggered photochromic cyclometallated platinum (II) complex
J Boixel, V Guerchais, H Le Bozec, A Chantzis, D Jacquemin, A Colombo, ...
Chemical Communications 51 (37), 7805-7808, 2015
Improved treatment of surrounding effects: UV/vis absorption properties of a solvated Ru (II) complex
A Chantzis, T Very, A Monari, X Assfeld
Journal of Chemical Theory and Computation 8 (5), 1536-1541, 2012
Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes
A Chantzis, T Very, C Daniel, A Monari, X Assfeld
Chemical Physics Letters 578, 133-137, 2013
Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First …
A Chantzis, JK Kowalska, D Maganas, S DeBeer, F Neese
Journal of Chemical Theory and Computation 14 (7), 3686-3702, 2018
Designing efficient azobenzene and azothiophene nonlinear optical photochromes
T Jaunet-Lahary, A Chantzis, KJ Chen, AD Laurent, D Jacquemin
The Journal of Physical Chemistry C 118 (49), 28831-28841, 2014
Optical properties of diarylethenes with TD-DFT: 0–0 energies, fluorescence, stokes shifts, and vibronic shapes
A Chantzis, J Cerezo, A Perrier, F Santoro, D Jacquemin
Journal of Chemical Theory and Computation 10 (9), 3944-3957, 2014
Solvatomagnetic comparison method: A proper quantification of solvent hydrogen-bond basicity
C Laurence, J Legros, P Nicolet, D Vuluga, A Chantzis, D Jacquemin
The Journal of Physical Chemistry B 118 (27), 7594-7608, 2014
Comparison of high-level post-Hartree–Fock and DFT methods on the calculation of interaction-induced electric properties of Kr–He
D Xenides, A Hantzis, G Maroulis
Chemical Physics 382 (1-3), 80-87, 2011
Interaction-induced electric properties in Kr–Ne from ab initio and DFT calculations. Is there a discrepancy between theory and experiment for the dipole moment?
A Chantzis, G Maroulis
Chemical Physics Letters 507 (1-3), 42-47, 2011
UV–vis absorption spectrum of a novel Ru (II) complex intercalated in DNA:[Ru (2, 2′-bipy)(dppz)(2, 2′-ArPy)]+
A Chantzis, T Very, S Despax, JT Issenhuth, A Boeglin, P Hébraud, ...
Journal of Molecular Modeling 20 (3), 1-10, 2014
Benzothiophene or Benzofuran Bridges in Diaryl Ethenes: Two‐Step Access by Pd‐Catalyzed C H Activation and Theoretical/Experimental Studies on Their Photoreactivity
K Yuan, J Boixel, A Chantzis, D Jacquemin, V Guerchais, H Doucet
Chemistry–A European Journal 20 (32), 10073-10083, 2014
Electric properties of the azide ion calculated with a systematic sequence of Gaussian-type basis sets
G Maroulis, A Hatzis, A Haskopoulos
Chemical Physics 323 (2), 451-457, 2006
Electric multipole moments of substituted acetylenic chains Η-(C≡C)n-H, X-(C≡C)n-H and Χ-(C≡C)n-X, electric (hyper)polarizability of acetylenic chains Η-(C≡C)n-H and their …
A Chantzis
University of Patras, 2011
A database of Gaussian-type basis sets applied to the calculation of electric properties of the azide anion
G Maroulis, A Hantzis, A Haskopoulos
ICCMSE 2004 Conference Proceedings 1, 1081-1084, 2004
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