Machine learning for chemical reactions
M Meuwly - Chemical Reviews, 2021 - ACS Publications
Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …
present contribution discusses applications ranging from small molecule reaction dynamics …
Elementary reactions of N atoms with hydrocarbons: first steps towards the formation of prebiotic N-containing molecules in planetary atmospheres
N Balucani - Chemical Society Reviews, 2012 - pubs.rsc.org
Gas-phase reactions involving atomic nitrogen in the ground 4S and first excited 2D
electronic states with simple hydrocarbons or hydrocarbon radicals lead to the formation of …
electronic states with simple hydrocarbons or hydrocarbon radicals lead to the formation of …
Abundant Z-cyanomethanimine in the interstellar medium: paving the way to the synthesis of adenine
VM Rivilla, J Martín-Pintado… - Monthly Notices of …, 2019 - academic.oup.com
We report the first detection in the interstellar medium (ISM) of the Z-isomer of
cyanomethanimine (HNCHCN), an HCN dimer proposed as precursor of adenine. We …
cyanomethanimine (HNCHCN), an HCN dimer proposed as precursor of adenine. We …
A Search for Heterocycles in GOTHAM Observations of TMC-1
We have conducted an extensive search for nitrogen-, oxygen-, and sulfur-bearing
heterocycles toward Taurus Molecular Cloud 1 (TMC-1) using the deep, broadband …
heterocycles toward Taurus Molecular Cloud 1 (TMC-1) using the deep, broadband …
The role of πσ* states in the photochemistry of heteroaromatic biomolecules and their subunits: insights from gas-phase femtosecond spectroscopy
GM Roberts, VG Stavros - Chemical Science, 2014 - pubs.rsc.org
In an effort to illuminate why nature has chosen a particular set of bio-molecular 'building-
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …
Seeds of Life in Space (SOLIS)-I. Carbon-chain growth in the Solar-type protocluster OMC2-FIR4
F Fontani, C Ceccarelli, C Favre, P Caselli… - Astronomy & …, 2017 - aanda.org
The interstellar delivery of carbon atoms locked into molecules might be one of the key
ingredients for the emergence of life. Cyanopolyynes are carbon chains delimited at their …
ingredients for the emergence of life. Cyanopolyynes are carbon chains delimited at their …
Unsaturated dinitriles formation routes in extraterrestrial environments: A combined experimental and theoretical investigation of the reaction between cyano radicals …
D Marchione, L Mancini, P Liang… - The Journal of …, 2022 - ACS Publications
The reaction between cyano radicals (CN, X2Σ+) and cyanoethene (C2H3CN) has been
investigated by a combined approach coupling crossed molecular beam (CMB) experiments …
investigated by a combined approach coupling crossed molecular beam (CMB) experiments …
On the participation of photoinduced N–H bond fission in aqueous adenine at 266 and 220 nm: a combined ultrafast transient electronic and vibrational absorption …
GM Roberts, HJB Marroux, MP Grubb… - The Journal of …, 2014 - ACS Publications
A combination of ultrafast transient electronic absorption spectroscopy (TEAS) and transient
vibrational absorption spectroscopy (TVAS) is used to investigate whether photoinduced N …
vibrational absorption spectroscopy (TVAS) is used to investigate whether photoinduced N …
Combined Crossed Molecular Beam and Theoretical Studies of the N(2D) + CH4 Reaction and Implications for Atmospheric Models of Titan
The dynamics of the H-displacement channel in the reaction N (2D)+ CH4 has been
investigated by the crossed molecular beam (CMB) technique with mass spectrometric …
investigated by the crossed molecular beam (CMB) technique with mass spectrometric …
The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan
The reaction of electronically excited nitrogen atoms, N (2D), with vinyl cyanide, CH2CHCN,
has been investigated under single-collision conditions by the crossed molecular beam …
has been investigated under single-collision conditions by the crossed molecular beam …