The Astronomical Journal, 2023 We present high-resolution dayside thermal emission observations of the exoplanet WASP-18 b using IGRINS on Gemini South. We remove stellar and telluric signatures using standard algorithms, and we extract the planet signal via cross-correlation with ...
Matteo Brogi +21 more
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Bond dissociation energies of X–H bonds in proteins
, 2022 Knowledge of reliable X–H bond dissociation energies (X = C, N, O, S) for amino acids in proteins is key for studying the radical chemistry of proteins. X–H bond dissociation energies of model dipeptides were computed using the isodesmic reaction method ...
Kai, Riedmiller +5 more
core +1 more source
DESVENDANDO REAÇÕES E COLISÕES: COMO A QUÍMICA QUÂNTICA COMPUTACIONAL ASSISTE NO ENTENDIMENTO DAS FRAGMENTAÇÕES NA ESPECTROMETRIA DE MASSAS TANDEM POR COLISÃO [PDF]
Química NovaTandem mass spectrometry (MS/MS) occupies a central position in experimental and analytical sciences, with collision-induced dissociation (CID) standing out as a fundamental technique for investigating molecular structures.
Vinicius Kuchenbecker +1 more
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Research Progress of Free Radical Chemistry-Tandem Mass Spectrometry for Fine Structure Analysis of Lipids [PDF]
Zhipu XuebaoAs one of the six major nutrients, lipids play important roles in various biological processes, including cell membrane construction, signal transduction, and energy metabolism.
JIAN Rui-jun, XIA Yu
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The terminator "toy" chemistry test: a simple tool to assess errors in transport schemes [PDF]
Geoscientific Model Development, 2015 This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources
P. H. Lauritzen +4 more
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Electron Attachment to 5-Fluorouracil: The Role of Hydrogen Fluoride in Dissociation Chemistry
International Journal of Molecular Sciences, 2022 We investigate dissociative electron attachment to 5-fluorouracil (5-FU) employing a crossed electron-molecular beam experiment and quantum chemical calculations. Upon the formation of the 5-FU− anion, 12 different fragmentation products are observed, the most probable dissociation channel being H loss.
Eugene Arthur-Baidoo +5 more
openaire +2 more sources
Hot dissociation, hole shrinkage, and hole re-delocalization in P3HT/PCBM organic photovoltaics
, 2023 Despite recent progress in increasing the power conversion efficiencies of organic photovoltaics, the mechanism behind charge separation against Coulombic attractions remains unclear. To date, studies have emphasized both ultrafast charge transfer and/or
Shohei, Koda +8 more
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Dissociation slowdown by collective optical response under strong coupling conditions
, 2022 We consider an ensemble of diatomic molecules resonantly coupled to an optical cavity under strong coupling conditions at normal incidence. Photodissociation dynamics is examined via direct numerical integration of the coupled Maxwell-Schrodinger ...
Abraham , Nitzan +2 more
core +1 more source
The Kinetic Monte Carlo Model of the Auroral Electron Precipitation into N2-O2 Planetary Atmospheres
Universe, 2022 Auroral events are the prominent manifestation of solar/stellar forcing on planetary atmospheres. They are closely related to the energy deposition by and evolution of planetary atmospheres, and their observations are widely used to analyze the ...
Dmitri Bisikalo +2 more
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, 2021 Fault-tolerant quantum computers may be far off, however solving real world quantum chemistry problems on near-term quantum devices is possible through the Pennylane which provides interface to use any of the quantum hardware provided by any of the ...
Ben, Geoffrey A S
core +1 more source