Atom tunneling in chemistry

J Meisner, J Kästner - Angewandte Chemie International …, 2016 - Wiley Online Library
Quantum mechanical tunneling of atoms is increasingly found to play an important role in
many chemical transformations. Experimentally, atom tunneling can be indirectly detected …

The barrier to proton transfer in the dimer of formic acid: A pure rotational study

W Li, L Evangelisti, Q Gou, W Caminati… - Angewandte Chemie …, 2019 - Wiley Online Library
The rotational spectra of three C‐deuterated isotopologues of the dimer of formic acid have
been measured, thanks to the small dipole moment induced by asymmetric H→ D …

Soot aggregate restructuring due to coatings of secondary organic aerosol derived from aromatic precursors

EG Schnitzler, A Dutt, AM Charbonneau… - … science & technology, 2014 - ACS Publications
Restructuring of monodisperse soot aggregates due to coatings of secondary organic
aerosol (SOA) derived from hydroxyl radical-initiated oxidation of toluene, p-xylene …

Quantum chemical microsolvation by automated water placement

M Steiner, T Holzknecht, M Schauperl, M Podewitz - Molecules, 2021 - mdpi.com
We developed a quantitative approach to quantum chemical microsolvation. Key in our
methodology is the automatic placement of individual solvent molecules based on the free …

The enhancement mechanism of glycolic acid on the formation of atmospheric sulfuric acid–ammonia molecular clusters

H Zhang, O Kupiainen-Määttä, X Zhang… - The Journal of …, 2017 - pubs.aip.org
Highly oxidized multifunctional organic molecules, which span a wide range of low
volatilities, are capable of driving particle formation as well as the initial growth of particles in …

How water interacts with the NOH group: The rotational spectrum of the 1: 1 N, N-diethylhydroxylamine· water complex

G Salvitti, F Baroncelli, C Nicotri, L Evangelisti… - Molecules, 2022 - mdpi.com
The rotational spectrum of the 1: 1 N, N-diethylhydroxylamine-water complex has been
investigated using pulsed jet Fourier transform microwave spectroscopy in the 6.5–18.5 GHz …

Overtone spectroscopy of molecular complexes containing small polyatomic molecules

M Herman, T Földes, K Didriche, C Lauzin… - … Reviews in Physical …, 2016 - Taylor & Francis
The literature on the high-resolution spectroscopic investigation of molecular complexes
containing small polyatomic species excited in their vibrational overtones is reviewed. They …

Gas phase transformation from organic acid to organic sulfuric anhydride: Possibility and atmospheric fate in the initial new particle formation

H Zhang, W Wang, S Pi, L Liu, H Li, Y Chen, Y Zhang… - Chemosphere, 2018 - Elsevier
New particle formation (NPF) process has been observed frequently in various
environments and produces a large fraction of atmospheric aerosols. However, the chemical …

The 235–360 GHz Rotational Spectrum of 1-Oxaspiro [2.5] octa-4, 7-dien-6-one─ Analysis of the Ground Vibrational State and Its 10 Lowest-Energy Vibrationally …

BJ Esselman, EB Pimentel, WH Styers… - The Journal of …, 2023 - ACS Publications
The millimeter-wave rotational spectrum of 1-oxaspiro [2.5] octa-4, 7-dien-6-one (1) was
collected from 235 to 360 GHz. With the rotational spectrum of this compound available for …

Molecular Structure of Salicylic Acid and Its Hydrates: A Rotational Spectroscopy Study

A Macario, JC López, S Blanco - International Journal of Molecular …, 2024 - mdpi.com
We present a study of salicylic acid and its hydrates, with up to four water molecules, done
by employing chirped-pulse Fourier transform microwave spectroscopy. We employed the …