D. López-Durán

activity

20072020

most citedThe CECAM Electronic Structure Library and the modular software development paradigm

34 citations · 70 across the 3 of their papers we have counts for

collaborators

Showing physics.chem-phShow all

2 papers · 1 filter

physics.chem-ph2011★ 10 cited

Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reaction

A. S. Sanz, D. Lopez-Duran, T. Gonzalez-Lezana

In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajec…

physics.chem-ph2007★ 26 cited

Microsolvation of cationic dimers in $^{4}$ He droplets: geometries of A $_{2}^{+}$ (He) $_{N}$ (A=Li,Na,K) from optimized energies

F. Marinetti, Ll. Uranga-Piña, E. Coccia +3

Ab initio computed interaction forces are employed in order to describe the microsolvation of the A $_{2}^{+} (^{2} Σ)$ (A=Li,Na,K) molecular ion in $^{4}$ He clusters of small variable size.…

Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reaction

Microsolvation of cationic dimers in 4He droplets: geometries of A2+​(He)N​ (A=Li,Na,K) from optimized energies

Microsolvation of cationic dimers in $^{4}$ He droplets: geometries of A $_{2}^{+}$ (He) $_{N}$ (A=Li,Na,K) from optimized energies