DH Lee, H Kang - The Journal of Physical Chemistry B, 2021 - ACS Publications
Excess protons play a key role in the chemical reactions of ice because of their exceptional mobility, even when the diffusion of atoms and molecules is suppressed in ice at low …
A Miyazaki, M Tsuge, H Hidaka, Y Nakai… - The Astrophysical …, 2022 - iopscience.iop.org
Using a combination of photostimulated desorption and resonance-enhanced multiphoton ionization methods, the behaviors of OH radicals on the surface of an interstellar ice analog …
DV Mifsud, P Herczku, R Rácz, KK Rahul… - Frontiers in …, 2022 - frontiersin.org
Laboratory experiments have confirmed that the radiolytic decay rate of astrochemical ice analogues is dependent upon the solid phase of the target ice, with some crystalline …
A Kouchi, Y Kimura, K Kitajima, H Katsuno… - Frontiers in …, 2021 - frontiersin.org
The occurrence of hydrogen atom-ordered form of ice Ih, ice XI, in the outer Solar System has been discussed based on laboratory experiments because its ferroelectricity influences …
AP Jayaweera, B Senevirathne… - ACS Earth and Space …, 2024 - ACS Publications
The mechanism of the reaction between CO2 and OH–(anion) in ice cluster models was determined using density functional theory (DFT), employing the ωB97X-D functional and …
M Tsuge, N Watanabe - Proceedings of the Japan Academy, Series B, 2023 - jstage.jst.go.jp
Molecular clouds (MCs) in space are the birthplace of various molecular species. Chemical reactions occurring on the cryogenic surfaces of cosmic icy dust grains have been …
P Rathnayake, WMC Sameera, N Watanabe - 2022 - chemrxiv.org
We have developed a Python interface, PyQM/MM, to perform ONIOM (QM: MM) calculations with the AMOEBA09 polarizable force field. The ONIOM (QM: MM) implementation in …