Project related publications:
A.-A. Farcaş and A. Bende: "Theoretical modeling of the singlet-triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal-ligand octahedral complexes", Physical Chemistry Chemical Physics, 23(8), 4784–4795 (2021). DOI
K. Kovács and V. Toşa: "Generation of two successive attosecond pulses in separate spectral domains.", Scientific Reports, 10, Art. №: 7392 (2020). DOI
A.-A. Farcaş and A. Bende: "DFT study of adiabatic singlet-triplet energy gaps in Ni(II)-based macrocyclic-ligand supramolecular complexes.", AIP Conference Proceedings, 2206, Art. №: 030001 (2019). DOI
A.-A. Farcaş and A. Bende: "Improving the light-induced spin transition efficiency in Ni(II)-based macrocyclic-ligand complexes.", Molecules, 24(23), Art. №: 4249, (2019). DOI
K. Kovács and V. Toşa: "Macroscopic attosecond chirp compensation", Optics Express, 27(15), Art. №: 21872, (2019). DOI
A.-A. Farcaş, T. A. Beu and A. Bende: "Mapping the light-induced intersystem crossings in Ni(II)-based macrocyclic-ligand complex-es: A DFT study.", Journal of Photochemistry and Photobiology A: Chemistry, 376, 316–323 (2019). DOI
A. Bende: "Low-lying excited states and their relaxation pathways of phenothiazine", AIP Conference Proceedings, 1917, Article №: 020002 (2017). DOI
Conference participation:
12nd International Conference on "Processes in Isotopes and Molecules" (PIM 2019); 25 – 27 September 2019 in Cluj Napoca, Romania; Oral presentation: A. Bende and A.-A. Farcaş: "Structural stability of Ni (II)-based macrocyclic-ligand complexes with square-pyramidal and octahedral coordination configuration." PDF
17th Central European Symposium on Theoretical Chemistry (CESTC 2019); 9 – 12 September 2019 in Burg Schlaining, Austria; Poster presentation: A.-A. Farcaş, T. A. Beu and A. Bende: "The influence of the metal-ligand charge transfer effects on the structural stability and the strength of the spin-orbit coupling in Ni(II)-based metal-ligand complexes." PDF
18th International Conference on Density-Functional Theory and its Application (DFT 2019); 22 – 26 July 2019 in Alicante, Spain; Poster presentation: A.-A. Farcaş, T. A. Beu and A. Bende: "Light induced singlet-triplet transition in Ni(II)-based macrocyclic-ligand complexes." PDF
10th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP 2019); 11 – 17 July 2019 in Tromsø, Norway; Poster presentation: A.-A. Farcaş, T. A. Beu and A. Bende: "The influence of the metal-ligand charge transfer effects on the structural stability and the strength of the spin-orbit coupling in Ni(II)-based metal-ligand complexes." PDF
9th Conference on Molecular Modeling in Chemistry and Biochemistry (MOLMOD2018); 28 – 30 October 2018 in Cluj Napoca, Romania; Oral presentation: A. Bende: "DFT modeling of singlet-triplet spin transitions in Ni(II)-based macrocyclic-ligand supramolecular complexes" PDF
9th Conference on Molecular Modeling in Chemistry and Biochemistry (MOLMOD2018); 28 – 30 October 2018 in Cluj Napoca, Romania; Poster presentation: A.-A. Farcaş and A. Bende: "Intersystem crossing in metalligand coordination complexes with pyramidal-planar and octahedral coordination configurations" PDF
12th Joint Conference on Mathematics and Computer Science (MaCS 2018); 14 – 17 June 2018 in Cluj-Napoca, Romania; Oral presentation: A.-A. Farcaş and A. Bende: "Modeling laser-induced spin crossover transitions using time-dependent density functional theory." PDF
Central European Conference on Photochemistry (CECP 2018); 4 – 8 February 2018 in Bad Hofgastein, Austria; Poster presentation: A.-A. Farcaş and A. Bende: "Structural stability and laser induced singlet-triplet transition in Ni(II) macrocyclic ligand complex: A TD-DFT study." PDF
International Conference on "Processes in Isotopes and Molecules" (PIM 2017); 27 – 29 September 2017 in Cluj Napoca, Romania; Poster presentation: A. Bende: "Low-lying excited states and their relaxation pathways of phenothiazine." PDF
Workshops:
A.-A. Farcaş: ZCAM School on New Computational Methods for Attosecond Molecular Processes, 21 – 25 May 2018 in Zaragoza, Spain;