| 1 |
Ab-initio calculations of the IR spectra of dicyanodiacetylene (C6N2) beyond the harmonic approximation
Dargelos A, Karamanis P, Pouchan C
Chemical Physics Letters, 723, 155, 2019 |
| 2 |
A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C-60 or a Nucleobases
Avramopoulos A, Otero N, Karamanis P, Pouchan C, Papadopoulos MG
Journal of Physical Chemistry A, 120(2), 284, 2016 |
| 3 |
Ab Initio Modeling of the IR Spectra of Dicyanoacetylene in the Region 100-4800 cm(-1)
Dargelos A, Pouchan C
Journal of Physical Chemistry A, 120(31), 6270, 2016 |
| 4 |
Comparison of static and dynamic methods of treatment of anharmonicity for the vibrational study of isolated and aqueous forms of guanine
Thicoipe S, Carbonniere P, Pouchan C
Chemical Physics Letters, 591, 243, 2014 |
| 5 |
Unleashing the Quadratic Nonlinear Optical Responses of Graphene by Confining White-Graphene (h-BN) Sections in Its Framework
Karamanis P, Otero N, Pouchan C
Journal of the American Chemical Society, 136(20), 7464, 2014 |
| 6 |
Theoretical Strategy to Build Structural Models of Microhydrated Inorganic Systems for the Knowledge of Their Vibrational Properties: The Case of the Hydrated Nitrate Aerosols
Carbonniere P, Thicoipe S, Pouchan C
Journal of Physical Chemistry A, 117(18), 3826, 2013 |
| 7 |
Theoretical study of the low lying states of Al2As: Towards a reliable description
Hayashi S, Dargelos A, Pouchan C
Chemical Physics Letters, 507(1-3), 37, 2011 |
| 8 |
The importance of anharmonicity in predicting the IR spectra of low coordinated organoarsenic compounds
Marchal R, Begue D, Chrostowska A, Pouchan C
Chemical Physics Letters, 493(1-3), 24, 2010 |
| 9 |
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 plus n=7, n=0-7) clusters
Xenides D, Karamanis P, Pouchan C
Chemical Physics Letters, 498(1-3), 134, 2010 |
| 10 |
Doping effects on the electric response properties of silicon clusters: A global structure-property investigation of AlSin-1 clusters (n=3-10)
Karamanis P, Marchal R, Carbonniere P, Pouchan C
Chemical Physics Letters, 500(1-3), 59, 2010 |
