Cold physics and chemistry: Collisions, ionization and reactions inside helium nanodroplets close to zero K
A Mauracher, O Echt, AM Ellis, S Yang, DK Bohme… - Physics Reports, 2018 - Elsevier
This review provides a comprehensive overview of the applications of helium nanodroplets
in the study of ensembles of atoms and molecules, ie clusters and complexes. These …
in the study of ensembles of atoms and molecules, ie clusters and complexes. These …
Rapid acceleration of hydrogen atom abstraction reactions of OH at very low temperatures through weakly bound complexes and tunneling
DE Heard - Accounts of chemical research, 2018 - ACS Publications
Conspectus A generally accepted principle of chemical kinetics is that a reaction will be very
slow at low temperatures if there is an activation barrier on the potential energy surface to …
slow at low temperatures if there is an activation barrier on the potential energy surface to …
Mid-infrared optical parametric oscillators and frequency combs for molecular spectroscopy
M Vainio, L Halonen - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
Nonlinear optical frequency conversion is one of the most versatile methods to generate
wavelength-tunable laser light in the mid-infrared region. This spectral region is particularly …
wavelength-tunable laser light in the mid-infrared region. This spectral region is particularly …
The study of reactive intermediates in condensed phases
BK Carpenter, JN Harvey… - Journal of the American …, 2016 - ACS Publications
Novel experimental techniques and computational methods have provided new insight into
the behavior of reactive intermediates in solution. The results of these studies show that …
the behavior of reactive intermediates in solution. The results of these studies show that …
Reactivity of OH and CH3OH between 22 and 64 K: modeling the gas phase production of CH3O in Barnard 1b
In recent years, ultra-low temperature chemical kinetic experiments have demonstrated that
some gas-phase reactions are much faster than was previously thought. One example is the …
some gas-phase reactions are much faster than was previously thought. One example is the …
The neural network based Δ-machine learning approach efficiently brings the DFT potential energy surface to the CCSD (T) quality: a case for the OH+ CH 3 OH …
K Song, J Li - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The recently proposed permutationally invariant polynomial-neural network (PIP-NN) based
Δ-machine learning (Δ-ML) approach (PIP-NN Δ-ML) is a flexible, general, and highly cost …
Δ-machine learning (Δ-ML) approach (PIP-NN Δ-ML) is a flexible, general, and highly cost …
Fundamental Invariant Neural Network (FI-NN) Potential Energy Surface for the OH + CH3OH Reaction with Analytical Forces
K Song, J Li - The Journal of Physical Chemistry A, 2024 - ACS Publications
The hydrogen abstraction reaction of OH+ CH3OH plays a great role in combustion and
atmospheric and interstellar chemistry and has been extensively studied theoretically and …
atmospheric and interstellar chemistry and has been extensively studied theoretically and …
Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII
To understand the origin of interstellar molecules we rely on astrochemical models, the gas-
phase networks of which contain≥ 7000 reactions. However, just a tiny fraction of them …
phase networks of which contain≥ 7000 reactions. However, just a tiny fraction of them …
Stereodynamic Control of Collision-Induced Nonadiabatic Dynamics of NO (A2Σ+) with H2, N2, and CO: Intermolecular Interactions Drive Collision Outcomes
JL Guardado, DJ Hood, K Luong… - The Journal of …, 2021 - ACS Publications
Intermolecular interactions, stereodynamics, and coupled potential energy surfaces (PESs)
all play a significant role in determining the outcomes of molecular collisions. A detailed …
all play a significant role in determining the outcomes of molecular collisions. A detailed …
Water Catalysis of the Reaction between Methanol and OH at 294 K and the Atmospheric Implications
The rate coefficient for the reaction CH3OH+ OH was determined by means of a relative
method in a simulation chamber under quasi‐real atmospheric conditions (294 K, 1 atm of …
method in a simulation chamber under quasi‐real atmospheric conditions (294 K, 1 atm of …