Theoretical studies of atmospheric reaction mechanisms in the troposphere
L Vereecken, JS Francisco - Chemical Society Reviews, 2012 - pubs.rsc.org
The chemistry of the atmosphere encompasses a vast number of reactions acting on a
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …
Aerobic biodegradation of odorous dimethyl disulfide in aqueous medium by isolated Bacillus cereus GIGAN2 and identification of transformation intermediates
Z Liang, T An, G Li, Z Zhang - Bioresource technology, 2015 - Elsevier
A novel, flagellated, rod-shape, Gram-positive facultative aerobe, was isolated and identified
as Bacillus cereus GIGAN2. It can effectively remove model odorous organics dimethyl …
as Bacillus cereus GIGAN2. It can effectively remove model odorous organics dimethyl …
Computational study on the reaction of CH3SCH2CH3 with OH radical: mechanism and enthalpy of formation
J Cao, W Wang, Y Zhang, W Wang, T Zhang… - Theoretical Chemistry …, 2011 - Springer
The reaction mechanism of CH 3 SCH 2 CH 3 with OH radical is studied at the CCSD (T)/6-
311+ G (3df, p)//MP2/6-31+ G (2d, p) level of theory. Three hydrogen abstraction channels …
311+ G (3df, p)//MP2/6-31+ G (2d, p) level of theory. Three hydrogen abstraction channels …
Characterization of secondary products formed through oxidation of reduced sulfur compounds
P Van Rooy, KL Purvis-Roberts, PJ Silva, MJ Nee… - Atmospheric …, 2021 - Elsevier
Dimethylsulfide (DMS) and dimethyldisulfide (DMDS) are precursors to products, like sulfuric
acid and methanesulfonic acid (MSA), which are important to secondary aerosol formation …
acid and methanesulfonic acid (MSA), which are important to secondary aerosol formation …
Gas-surface reactions of nitrate radicals with vinyl-terminated self-assembled monolayers
Y Zhang, RC Chapleski, JW Lu, TH Rockhold… - Physical Chemistry …, 2014 - pubs.rsc.org
Interfacial reactions between gas-phase nitrate radicals, a key nighttime atmospheric
oxidant, and a model unsaturated organic surface have been investigated to determine the …
oxidant, and a model unsaturated organic surface have been investigated to determine the …
Studies on the intramolecular cyclizations of bicyclic δ-hydroxynitriles promoted by triflic anhydride
V Justribó, SC Pellegrinet… - The Journal of Organic …, 2007 - ACS Publications
Studies have been conducted to investigate the reactivity of several bicyclic δ-hydroxynitriles
with triflic anhydride in dichloromethane. The reactions of the analogues derived from 1 …
with triflic anhydride in dichloromethane. The reactions of the analogues derived from 1 …
Computational study on the mechanism for the gas‐phase reaction of dimethyl disulfide with OH
W Wang, J Xin, Y Zhang, W Wang… - International Journal of …, 2011 - Wiley Online Library
The mechanisms for the reaction of CH3SSCH3 with OH radical are investigated at the
QCISD (T)/6‐311++ G (d, p)//B3LYP/6‐311++ G (d, p) level of theory. Five channels have …
QCISD (T)/6‐311++ G (d, p)//B3LYP/6‐311++ G (d, p) level of theory. Five channels have …
A preconcentration method based on a new sorbent for the measurement of selected reduced sulfur compounds at ppb level in ambient air
C Merlen, M Verriele, S Crunaire, V Ricard… - Microchemical …, 2018 - Elsevier
Odour annoyance forms the main source of environmental stress in residents living nearby
industrial or agricultural fields. However, despite a relative simplicity of odour measurement …
industrial or agricultural fields. However, despite a relative simplicity of odour measurement …
Nitrate radical addition–elimination reactions of atmospherically relevant sulfur-containing molecules
We have used different computational methods, including B3LYP, CCSD (T)-F12 and CBS-
QB3, to study and compare the addition–elimination reaction of the nitrate radical NO3 with …
QB3, to study and compare the addition–elimination reaction of the nitrate radical NO3 with …
CH3SH 与H2O2 气相反应机理的理论研究
张士国， 卞贺， 夏道宏 - 化学学报, 2010 - sioc-journal.cn
摘要采用密度泛函理论的B3LYP 方法, 在6-311+ G (d, p) 基组水平上研究了CH3SH 与H2O2
的微观反应机理, 全参数优化了反应势能面上各驻点的几何构型, 振动分析和内禀反应坐标(IRC) …
的微观反应机理, 全参数优化了反应势能面上各驻点的几何构型, 振动分析和内禀反应坐标(IRC) …