Browsing by Department "Hebrew University of Jerusalem"
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- Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä(2018-01-01) Hänninen, Vesa; Murdachaew, Garold; Nathanson, Gilbert M.; Gerber, R. Benny; Halonen, LauriAb initio molecular dynamics simulations of formic acid (FA) dimer colliding with liquid water at 300 K have been performed using density functional theory. The two energetically lowest FA dimer isomers were collided with a water slab at thermal and high kinetic energies up to 68kBT. Our simulations agree with recent experimental observations of nearly a complete uptake of gas-phase FA dimer: the calculated average kinetic energy of the dimers immediately after collision is 5 ± 4% of the incoming kinetic energy, which compares well with the experimental value of 10%. Simulations support the experimental observation of no delayed desorption of FA dimers following initial adsorption. Our analysis shows that the FA dimer forms hydrogen bonds with surface water molecules, where the hydrogen bond order depends on the dimer structure, such that the most stable isomer possesses fewer FA-water hydrogen bonds than the higher energy isomer. Nevertheless, even the most stable isomer can attach to the surface through onehydrogen bond despite its reduced hydrophilicity. Our simulations further show that the probability of FA dimer dissociation is increased by high collision energies, the dimer undergoes isomerization from the higher energy to the lowest energy isomer, and concerted double-proton transfer occurs between the FA monomers. Interestingly, proton transfer appears to be driven by the release of energy arising from such isomerization, which stimulates those internal vibrational degrees of freedom that overcome the barrier of a proton transfer. - Comment on "Absence of a Dissipative Quantum Phase Transition in Josephson Junctions"
Comment/debate(2021-03-12) Hakonen, Pertti J.; Sonin, Edouard B. - The enemy's gaze: Immersive virtual environments enhance peace promoting attitudes and emotions in violent intergroup conflicts
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä(2019) Hasson, Yossi; Schori-Eyal, Noa; Landau, Daniel; Hasler, Béatrice S.; Levy, Jonathan; Friedman, Doron; Halperin, EranPerspective-taking is essential for improving intergroup relations. However, it is difficult to implement, especially in violent conflicts. Given that immersive virtual reality (VR) can simulate various points of view (POV), we examined whether it can lead to beneficial outcomes by promoting outgroup perspective-taking, even in armed conflicts. In two studies, Jewish- Israelis watched a 360° VR scene depicting an Israeli-Palestinian confrontation from different POVs-outgroup's, ingroup's while imagining outgroup perspective or ingroup's without imagined perspective-taking. Participants immersed in the outgroup's POV, but not those who imagined the outgroup's perspective, perceived the Palestinians more positively than those immersed in the ingroup's POV. Moreover, participants in the outgroup's POV perceived the Palestinian population in general more favorably and judged a real-life ingroup transgression more strictly than those in the ingroup's POV, even five months after VR intervention. Results suggest that VR can promote conflict resolution by enabling effective perspective- taking.