Title: The challenge of the equilibrium structure of cinnamonitrile: Rotational spectroscopy and semi-experimental approach Authors: Mattia Melosso, Silvia Alessandrini, Hexu ...
ABSTRACT Using density functional theory, we identify the 30 low‐lying structures of the furfural‐acetone‐furfural adduct, a valuable biofuel precursor. Focusing on the most stable s...
Title: Chemistry in Extreme Environments: The Mystery of Molecular Complexity in Space Authors: Cristina Puzzarini, Silvia Alessandrini DOI: 10.1021/acscentsci.5c02122 Date: ...
Title: Computational Study of the Reaction between Ethylene Glycol and the CH Radical: Competition between Carbon Addition and Dehydrogenation Authors: ...
Abstract Enols represent highly reactive intermediates toward the synthesis of complex organic molecules in the interstellar medium (ISM) and serve as key tracer...
Abstract Quantum chemistry provides accurate and reliable methods to investigate reaction pathways of reactive molecular systems relevant to the interstellar med...
Title: An improved study of cyanoacetylene and diacetylene including the strong band of HC3N and band of HC4H Authors: Luca ...
Title: Ab Initio Characterization of the [H2,C,N,O]+ Isomeric System: Structures, Spectroscopy, and Electronic States Authors: Majdi Hochlaf Roberto Linguerri Nadra ...
Title: Assessing the Limits of the “Lego-Brick” Approach: Equilibrium Structures of Strained and Flexible Cyclic Molecules Authors: Silvia Alessandrini, Alessandra ...
Title: Mono-substituted isotopologues of HC3 N: Characterization of the resonance systems for the 13C- and 15N-species Authors: Gabriele Panizzi, Michela ...
