Automated Exploration of Radical-molecule Chemistry: The Case of Oxirane + CH in the Interstellar Medium
Abstract Quantum chemistry provides accurate and reliable methods to investigate reaction pathways of reactive molecular systems relevant to the interstellar med...
An improved study of cyanoacetylene and diacetylene including the strong band of HC3N and band of HC4H
Title: An improved study of cyanoacetylene and diacetylene including the strong band of HC3N and band of HC4H Authors: Luca ...
Ab Initio Characterization of the [H2,C,N,O]+ Isomeric System: Structures, Spectroscopy, and Electronic States
Title: Ab Initio Characterization of the [H2,C,N,O]+ Isomeric System: Structures, Spectroscopy, and Electronic States Authors: Majdi Hochlaf Roberto Linguerri Nadra ...
Assessing the Limits of the “Lego-Brick” Approach: Equilibrium Structures of Strained and Flexible Cyclic Molecules
Title: Assessing the Limits of the “Lego-Brick” Approach: Equilibrium Structures of Strained and Flexible Cyclic Molecules Authors: Silvia Alessandrini, Alessandra ...
Mono-substituted isotopologues of HC3 N: Characterization of the resonance systems for the 13C- and 15N-species
Title: Mono-substituted isotopologues of HC3 N: Characterization of the resonance systems for the 13C- and 15N-species Authors: Gabriele Panizzi, Michela ...
Infrared predissociation spectroscopy of cold trapped C2H-(H2) and C2H-(D2)
The vibrational spectra of cryogenically cooled acetylide anions, C2H-, tagged with H2 and D2 , are obtained over a wide spectral range spanning 350–3500 cm-1 . Using the FELIX infrared free electron...
