Title: Describing the Disulfide Bond: From the Density Functional Theory and Back through the “Lego Brick” Approach Authors: Silvia Alessandrini, ...
Title: Millimeter to THz Spectroscopy of HC18O+ and HC17O+: Accurate Rest Frequencies for Astrophysical Studies Authors: L. Bizzocchi, F. Tonolo, ...
Title: Deciphering the Complexity in the Rotational Spectrum of Deuterated Ethylene Glycol Authors: J, A. Claus, M. Melosso, A. Maillard, ...
Title: Experimental and theoretical investigation on N2 pressure-induced coefficients of the lowest rotational transitions of HCN Authors: F. Tonolo, H. ...
Title: Collisional excitation of PO+ by para-H2 : potential energy surface, scattering calculations, and astrophysical applications Authors: F. Tonolo, L. ...
Title: A Catalytic Pathway for the Formation of Cyanobenzene in Nitrogen-rich Environments and the Spectroscopy of the Reactive Intermediates Authors: ...
Title: Energetic and Spectroscopic Insights into the C3H6O2 Isomer Family for Astrochemical Purposes Authors: Alessandra Savarese, Silvia Alessandrini, Mattia Melosso, ...
The tautomeric equilibrium of citrinin in dichloromethane was investigated using classical molecular dynamics and linear-response QM/MM calculations of 17O NMR shielding constants. MD simulations show...
Title: Extension of the Lego-brick approach to protonated molecules Authors: Terri E Field-Theodore, Silvia Alessandrini, Mattia Melosso, Cristina Puzzarini DOI: ...
Abstract Glycolonitrile (HOCH 2 CN) has been a molecule of long-standing interest in astrochemistry. While its production...
