Quantum chemical insights into the atmospheric reactions of CH2FCH2OH with OH radical, fate of CH2FC• HOH radical and ozone formation potential
Quantum chemical calculations on the gas-phase H-abstraction reactions of CH 2 FCH 2 OH
with OH radical were performed using the CCSD (T)//M06-2X/Aug-cc-pVTZ method. The rate …
with OH radical were performed using the CCSD (T)//M06-2X/Aug-cc-pVTZ method. The rate …
Atmospheric chemistry of CHF2CF2OCH2CF3: Reactions with Cl atoms, fate of CHF2CF2OC• HCF3 radical, formation of OH radical and Criegee Intermediate
The kinetics and mechanism for hydrogen abstraction reactions of CHF 2 CF 2 OCH 2 CF 3
with Cl atoms were studied using the DFT-based M06-2X/6-311++ G (d, p) quantum …
with Cl atoms were studied using the DFT-based M06-2X/6-311++ G (d, p) quantum …
Theoretical Insight into the Kinetics of H‐Abstraction Reaction of CHF2CH2OH with OH Radical, Atmospheric Lifetime and Global Warming Potential
B Baidya, M Lily, AK Chandra - ChemistrySelect, 2018 - Wiley Online Library
The mechanistic, kinetic and thermochemical analysis of the reaction of CHF2CH2OH with
OH radical have been carried out at the CCSD (T)/aug‐cc‐pVTZ//M06‐2X/6‐311++ G (d, p) …
OH radical have been carried out at the CCSD (T)/aug‐cc‐pVTZ//M06‐2X/6‐311++ G (d, p) …
Theoretical studies on atmospheric chemistry of HFE-245mc and perfluoro-ethyl formate: Reaction with OH radicals, atmospheric fate of alkoxy radical and global …
M Lily, B Baidya, AK Chandra - Chemical Physics Letters, 2017 - Elsevier
Theoretical studies have been performed on the kinetics, mechanism and thermochemistry
of the hydrogen abstraction reactions of CF 3 CF 2 OCH 3 (HFE-245mc) and CF 3 CF 2 …
of the hydrogen abstraction reactions of CF 3 CF 2 OCH 3 (HFE-245mc) and CF 3 CF 2 …
Atmospheric oxidation of fluoroalcohols initiated by˙ OH radicals in the presence of water and mineral dusts: mechanism, kinetics, and risk assessment
FY Bai, MS Deng, MY Chen, L Kong, S Ni… - Physical Chemistry …, 2021 - pubs.rsc.org
The transport and formation of fluorinated compounds are greatly significant due to their
possible environmental risks. In this work, the˙ OH-mediated degradation of …
possible environmental risks. In this work, the˙ OH-mediated degradation of …
Theoretical investigation on atmospheric reaction mechanism, kinetics and SAR estimations of four-carbon ketones and alcohols
Q Wang, S Ni, F Bai, X Pan - Atmospheric Environment, 2022 - Elsevier
The oxidation mechanism, thermochemistry and kinetics of 3-hydroxy-2-butanone (3H2B)
and 2-methyl-1-propanol (2M1P) initiated by NO 3 radicals were theoretically investigated at …
and 2-methyl-1-propanol (2M1P) initiated by NO 3 radicals were theoretically investigated at …
Theoretical studies on atmospheric chemistry of CHF2CF2CH2OH: Reaction with OH radicals, lifetime and global warming potentials
B Baidya, M Lily, AK Chandra - Computational and Theoretical Chemistry, 2017 - Elsevier
Theoretical investigations are carried out on the kinetics, mechanism and thermochemistry
of the hydrogen abstraction reactions of CHF 2 CF 2 CH 2 OH with the OH radical using DFT …
of the hydrogen abstraction reactions of CHF 2 CF 2 CH 2 OH with the OH radical using DFT …
Experimental and computational investigations of the tropospheric photooxidation reactions of 1, 1, 1, 3, 3, 3-Hexafluoro-2-methyl-2-propanol initiated by OH radicals …
The gas-phase kinetics for the reactions of OH radicals and Cl atoms with 1, 1, 1, 3, 3, 3-
hexafluoro-2-methyl-2-propanol (HF2M2P) were measured at temperatures between 268 …
hexafluoro-2-methyl-2-propanol (HF2M2P) were measured at temperatures between 268 …
Kinetic Analysis of Unimolecular Reactions Following the Addition of the Hydroxyl Radical to 1, 1, 2-Trifluoroethene
S Snitsiriwat, S Yommee… - The Journal of Physical …, 2021 - ACS Publications
Fluorinated olefins are valued chemicals in industry, especially as heat transfer fluids in
refrigeration applications. As these volatile compounds are widely used, they may be …
refrigeration applications. As these volatile compounds are widely used, they may be …
Photodegradation kinetics of organophosphorous with hydroxyl radicals: Experimental and theoretical study
The presence of organophosphorus compounds (OPs) in the environmental counterparts
has been an important problem because of their toxicity. In this study, the photocatalytic …
has been an important problem because of their toxicity. In this study, the photocatalytic …