Pinned post
🧨🧨🧨The final article of my PhD thesis has just been published online 🧨🧨🧨
Kudos to my supervisors @eduardmatito and @JosepmLuis and collaborators @eloy_raco and Robert Zaleśny! Click click!🐕🐕 pubs.acs.org/doi/10.1021/ac…
Kudos to my supervisors @eduardmatito and @JosepmLuis and collaborators @eloy_raco and Robert Zaleśny! Click click!🐕🐕 pubs.acs.org/doi/10.1021/ac…
pubs.acs.org How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies? Abstract. We show that properties of molecules with low-frequency modes calculated with density functional approximations (DFAs) suffer from spurious oscil