Collisional excitation of PO+ by para-H2 : potential energy surface, scattering calculations, and astrophysical applications
Title: Collisional excitation of PO+ by para-H2 : potential energy surface, scattering calculations, and astrophysical applications Authors: F. Tonolo, L. ...
A Catalytic Pathway for the Formation of Cyanobenzene in Nitrogen-rich Environments and the Spectroscopy of the Reactive Intermediates
Title: A Catalytic Pathway for the Formation of Cyanobenzene in Nitrogen-rich Environments and the Spectroscopy of the Reactive Intermediates Authors: ...
Energetic and Spectroscopic Insights into the C3H6O2 Isomer Family for Astrochemical Purposes
Title: Energetic and Spectroscopic Insights into the C3H6O2 Isomer Family for Astrochemical Purposes Authors: Alessandra Savarese, Silvia Alessandrini, Mattia Melosso, ...
Mixed Cluster Ions of Magnesium and C60 ( Cloned )
Title: Mixed Cluster Ions of Magnesium and C60 Authors: Anna Maria Reider, Jan Mayerhofer, ...
A computational QM/MD 17O NMR study of tautomeric equilibrium of mycotoxin citrinin in dichloromethane solution
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...
Extension of the Lego-brick approach to protonated molecules
Title: Extension of the Lego-brick approach to protonated molecules Authors: Terri E Field-Theodore, Silvia Alessandrini, Mattia Melosso, Cristina Puzzarini DOI: ...
