Results 11 to 20 of about 148,467 (378)
Molecules, 2023 The dynamic and static nature of the XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) interactions in the distorted π-system of corannulene (π(C20H10)) is elucidated with a QTAIM dual functional analysis (QTAIM-DFA), where asterisks emphasize the ...
Satoko Hayashi +3 more
doaj +1 more source
Halogen Enrichment of Siberian Traps Magmas During Interaction With Evaporites
Frontiers in Earth Science, 2021 Volatile emissions to the atmosphere associated with the Siberian Traps eruptions at the Permian-Triassic boundary were sourced from the outgassing of primary magmas and the sedimentary host rocks into which they were intruded. Halogens in volcanic gases
Svetlana Sibik +6 more
doaj +1 more source
Type II halogen···halogen contacts are halogen bonds [PDF]
IUCrJ, 2013 Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
METRANGOLO, PIERANGELO +1 more
openaire +4 more sources
Defect Processes in Halogen Doped SnO2
Applied Sciences, 2021 In the present study, we performed density functional theory calculations (DFT) to investigate structural changes and their impact on the electronic properties in halogen (F, Cl, Br, and I) doped tin oxide (SnO2).
Petros-Panagis Filippatos +4 more
doaj +1 more source
Extending the applicability of the ANI deep learning molecular potential to Sulfur and Halogens.
Journal of Chemical Theory and Computation, 2020 Machine learning (ML) methods have become powerful, predictive tools in a wide range of applications, such as facial recognition and autonomous vehicles.
Christian Devereux +6 more
semanticscholar +1 more source
Sensitivity of tropospheric ozone to halogen chemistry in the chemistry–climate model LMDZ-INCA vNMHC [PDF]
Geoscientific Model Development, 2023 The atmospheric chemistry of halogenated species (Cl, Br, I) participates in the global chemical sink of tropospheric ozone and perturbs the oxidising capacity of the troposphere, notably by influencing the atmospheric lifetime of methane.
C. Caram +5 more
doaj +1 more source
Application of Satellite‐Based Detections of Arctic Bromine Explosion Events Within GEOS‐Chem
Journal of Advances in Modeling Earth Systems, 2023 During polar spring, periods of elevated tropospheric bromine drive near complete removal of surface ozone. These events impact the tropospheric oxidative capacity and are an area of active research with multiple approaches for representing the ...
P. A. Wales +9 more
doaj +1 more source
Kinetics of the Reactions of Ozone with Halogen Atoms in the Stratosphere
Atmosphere, 2021 It is well established that reaction cycles involving inorganic halogens contribute to the depletion of ozone in the atmosphere. Here, the kinetics of O3 with halogen atoms (Cl, Br, and I) were investigated between 180 and 400 K, expanding the ...
S. Vijayakumar +2 more
doaj +1 more source
Potential Effect of Halogens on Atmospheric Oxidation and Air Quality in China
Journal of Geophysical Research - Atmospheres, 2020 Air pollution has been a hazard in China over recent decades threatening the health of half a billion people. Much effort has been devoted to mitigating air pollution in China leading to a significant reduction in primary pollutants emissions from 2013 ...
Qinyi Li +11 more
semanticscholar +1 more source
Geochemistry, Geophysics, Geosystems, 2020 The Morne Trois Pitons‐Micotrin volcanic complex on the island of Dominica (Lesser Antilles) emitted a series of plinian eruptions between 18 and 9 ka BP.
T. d'Augustin +5 more
doaj +1 more source