A Theoretical Investigation of OH• + H2CCNH Reactivity: Interstellar Insights into Glycolonitrile Formation
Abstract Glycolonitrile (HOCH 2 CN) has been a molecule of long-standing interest in astrochemistry. While its production...
The challenge of the equilibrium structure of cinnamonitrile: Rotational spectroscopy and semi-experimental approach
Title: The challenge of the equilibrium structure of cinnamonitrile: Rotational spectroscopy and semi-experimental approach Authors: Mattia Melosso, Silvia Alessandrini, Hexu ...
Computational Characterization of the Energetics, Structure, and Spectroscopy of Biofuel Precursors: The Case of Furfural‐Acetone‐Furfural
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...
Chemistry in Extreme Environments: The Mystery of Molecular Complexity in Space
Title: Chemistry in Extreme Environments: The Mystery of Molecular Complexity in Space Authors: Cristina Puzzarini, Silvia Alessandrini DOI: 10.1021/acscentsci.5c02122 Date: ...
Computational Study of the Reaction between Ethylene Glycol and the CH Radical: Competition between Carbon Addition and Dehydrogenation
Title: Computational Study of the Reaction between Ethylene Glycol and the CH Radical: Competition between Carbon Addition and Dehydrogenation Authors: ...
Investigating Enols Chemistry in the Interstellar Medium: Rotational Spectroscopy and Interstellar Search of (E)-1-Propenol
Abstract Enols represent highly reactive intermediates toward the synthesis of complex organic molecules in the interstellar medium (ISM) and serve as key tracer...
