Fingerprint region of the formic acid dimer: Variational vibrational computations in curvilinear coordinates AM Santa Daría, G Avila, E Mátyus
Physical Chemistry Chemical Physics 23 (11), 6526-6535, 2021
18 2021 High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark DS Rasheeda, AM Santa Daría, B Schröder, E Mátyus, J Behler
Physical Chemistry Chemical Physics 24 (48), 29381-29392, 2022
13 2022 Performance of a black-box-type rovibrational method in comparison with a tailor-made approach: Case study for the methane–water dimer A Martín Santa Daría, G Avila, E Mátyus
The Journal of Chemical Physics 154 (22), 2021
13 2021 Variational vibrational states of HCOOH AM Santa Daría, G Avila, E Mátyus
Journal of Molecular Spectroscopy 385, 111617, 2022
12 2022 Investigating the electronic properties and structural features of MgH and of anions L González-Sánchez, S Gómez-Carrasco, AM Santadaría, FA Gianturco, ...
Physical Review A 96 (4), 042501, 2017
5 2017 Exact quantum dynamics developments for floppy molecular systems and complexes E Mátyus, AM Santa Daría, G Avila
Chemical Communications 59 (4), 366-381, 2023
4 2023 Collisional Quantum Dynamics for MgH− (1 Σ+ ) With He as a Buffer Gas: Ionic State-Changing Reactions in Cold Traps L González-Sánchez, S Gómez-Carrasco, AM Santadaría, R Wester, ...
Frontiers in Chemistry 7, 64, 2019
3 2019 Vibrational infrared and Raman spectra of HCOOH from variational computations G Avila, AM Santa Daría, E Mátyus
Physical Chemistry Chemical Physics 25 (22), 15183-15192, 2023
1 2023 Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction A Martín Santa Daría, J Hernández-Rodríguez, LM Ibele, S Gómez
The Journal of Chemical Physics 160 (11), 2024
2024 Methane dimer rovibrational states and Raman transition moments AM Santa Daría, G Avila, E Mátyus
Physical Chemistry Chemical Physics 26 (13), 10254-10264, 2024
2024 Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs AM Santa Daría, L González-Sánchez, S Gómez
Physical Chemistry Chemical Physics 26 (1), 174-184, 2024
2024 Computed Rotational Collision Rate Coefficients for Recently Detected Anionic Cyanopolyynes L González-Sánchez, A Veselinova, AM Santa Daría, E Yurtsever, ...
The Astrophysical Journal 960 (1), 40, 2023
2023 Claves de jóvenes investigadores para iniciar una carrera científica A Martín Santa Daría, S Gómez
Farmajournal 8 (2), 51-52, 2023
2023 Interpretación de la función de onda JJ Aldegunde Carrión, L González Sánchez, A Martı́n Santa Darı́a, ...
2023 rsc. li/chemcomm E Mátyus, AM Santa Darıa, G Avila, K Yan, J Wang, Z Wang, L Yuan
Chem. Commun 59, 414, 2023
2023