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 |
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 |
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 | 4 | 2017 |
Collisional Quantum Dynamics for MgH− (1Σ+) 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 |