| 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 |
Phenylnitrene Radical Cation and Its Isomers from Tetrazoles, Nitrile Imines, Indazole, and Benzimidazole
Begue D, Dargelos A, Braybrook C, Wentrup C
Journal of Physical Chemistry A, 123(7), 1410, 2019 |
| 3 |
Heteroarylcarbene-Arylnitrene Radical Cation Isomerizations
Begue D, Dargelos A, Braybrook C, Wentrup C
Journal of Physical Chemistry A, 123(10), 2073, 2019 |
| 4 |
Isoselenocyanates versus Isothiocyanates and Isocyanates
Chrostowska A, Darrigan C, Dargelos A, Graciaa A, Guillemin JC
Journal of Physical Chemistry A, 122(11), 2894, 2018 |
| 5 |
Phenylnitrene Radical Cation Rearrangements
Begue D, Dargelos A, Wentrup C
Journal of Physical Chemistry A, 122(43), 8490, 2018 |
| 6 |
Triplet States of Tetrazoles, Nitrenes, and Carbenes from Matrix Photolysis of Tetrazoles, and Phenylcyanamide as a Source of Phenylnitrene
Abe M, Begue D, Silva HS, Dargelos A, Wentrup C
Journal of Physical Chemistry A, 122(37), 7276, 2018 |
| 7 |
Iminocyclohexadienylidenes: Carbenes or Diradicals? The Hetero-Wolff Rearrangement of Benzotriazoles to Cyanocyclopentadienes and 1H-Benzo[b]azirines
Begue D, Santos-Silva H, Dargelos A, Wentrup C
Journal of Physical Chemistry A, 121(32), 5998, 2017 |
| 8 |
Imidoylnitrenes R'C(=NR)-N, Nitrile Imines, 1H-Diazirines, and Carbodiimides: Interconversions and Rearrangements, Structures, and Energies at DFT and CASPT2 Levels of Theory
Begue D, Santos-Silva H, Dargelos A, Wentrup C
Journal of Physical Chemistry A, 121(43), 8227, 2017 |
| 9 |
The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes
Liu ZQ, Ishibashi JSA, Darrigan C, Dargelos A, Chrostowska A, Li B, Vasiliu M, Dixon DA, Liu SY
Journal of the American Chemical Society, 139(17), 6082, 2017 |
| 10 |
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 |
