146 citations · 416 across the 15 of their papers we have counts for
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The junChS and junChS-F12 models: parameter-free efficient yet accurate composite schemes for energies and structures of non-covalent complexes
Jacopo Lupi, Silvia Alessandrini, Cristina Puzzarini +1
A recently developed model chemistry (denoted as junChS [Alessandrini et al J. Chem. Theory Comput. 2020, 16, 988-1006]) has been extended to the employment of explicitly-correlate…
Formation of phosphorus monoxide (PO) in the interstellar medium: insights from quantum-chemical and kinetic calculations
Juan García de la Concepción, Cristina Puzzarini, Vincenzo Barone +2
In recent years, phosphorus monoxide (PO) -- an important molecule for prebiotic chemistry -- has been detected in star-forming regions and in the comet 67P/Churyumov-Gerasimenko.…
An improved rovibrational linelist of formaldehyde, \spec{h212c16o}
Afaf R. Al-Derzi, Jonathan Tennyson, Sergei N. Yurchenko +7
Published high-resolution rotation-vibration transitions of \spec{h212c16o}, the principal isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation-Vibrati…