16 citations · 70 across the 7 of their papers we have counts for
7 papers
Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs
Alberto Martín Santa Daría, Lola González-Sánchez, Sandra Gómez
Assuming a delta pulse excitation, quantum wavepackets are propagated on the excited state manifold in the energy range from 3.4-5.0 eV for coronene and 2.4-3.5 eV for circumcorone…
Vibrational Quenching of CN- in Collisions with He and Ar
Barry Mant, Ersin Yurtsever, Lola González-Sánchez +2
The vibrational quenching cross sections and corresponding low-temperature rate constants for the v = 1 and v = 2 states of CN- colliding with He and Ar atoms have been computed ab…
Energy-transfer Quantum Dynamics of HeH with He atoms: Rotationally Inelastic Cross Sections and Rate Coefficients
Franco Gianturco, Kousik Giri, Lola Gonzalez-Sanchez +3
Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH interacting w…
Collisional cooling of internal rotation in MgH ions trapped with He atoms: Quantum modeling meets experiments in Coulomb crystals
L. González-Sánchez, R. Wester, F. A. Gianturco
Using the ab initio computed Potential Energy Surface (PES) for the electronic interaction of the MgH () ion with the He(S) atom, we calculate the relevant state-chang…
Rotational state-changing collisions of CH and CN anions with He under interstellar and cold ion trap conditions: a computational comparison
Jan Franz, Barry Mant, Lola González-Sánchez +2
We present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions which are expected to play some role in evolu…
Unveiling shape resonances in H + HF collisions at cold energies
Pablo G. Jambrina, Lola González-Sánchez, Manuel Lara +2
Resonances are associated with the trapping of an intermolecular complex, and are characterized by a series of quantum numbers such as the total angular momentum and the parity, re…
Investigating the electronic properties and structural features of MgH and of MgH anions
L. González-Sánchez, S. Gómez-Carrasco, A. M. Santadaría +2
In the present paper we analyze in detail several properties of the MgH anion and the MgH neutral molecule using accurate ab initio quantum computational methods in order to es…