The influence of a single water molecule on the reaction of IO + HONO

[1]  Lian Kong,et al.  Atmospheric oxidation of fluoroalcohols initiated by ˙OH radicals in the presence of water and mineral dusts: mechanism, kinetics, and risk assessment. , 2021, Physical chemistry chemical physics : PCCP.

[2]  Xiumei Pan,et al.  New insights into 3M3M1B: the role of water in ˙OH-initiated degradation and aerosol formation in the presence of NOX (X = 1, 2) and an alkali. , 2019, Physical chemistry chemical physics : PCCP.

[3]  Shanshan Tang,et al.  A single water molecule accelerating the atmospheric reaction of HONO with ClO , 2019, Environmental Science and Pollution Research.

[4]  R. Taccone,et al.  Water catalysis of the reaction between hydroxyl radicals and linear saturated alcohols (ethanol and n-propanol) at 294 K. , 2018, Physical chemistry chemical physics : PCCP.

[5]  D. Kaur,et al.  Nature and Hierarchy of Hydrogen-Bonding Interactions in Binary Complexes of Azoles with Water and Hydrogen Peroxide , 2018, ACS omega.

[6]  Yongqi Zhang,et al.  Catalytic effect of water, water dimer, HCOOH and H2SO4 on the isomerisation of HON(O)NNO2 to ON(OH)NNO2: a mechanism study , 2018, Molecular Simulation.

[7]  Shanshan Tang,et al.  Role of water on the H-abstraction from methanol by ClO. , 2018, Journal of environmental sciences.

[8]  Jingyu Sun,et al.  A quantum theory investigation on atmospheric oxidation mechanisms of acrylic acid by OH radical and its implication for atmospheric chemistry , 2018, Environmental Science and Pollution Research.

[9]  A. Mellouki,et al.  Characteristics and sources of nitrous acid in an urban atmosphere of northern China: Results from 1-yr continuous observations , 2018, Atmospheric Environment.

[10]  Chuncheng Chen,et al.  Photochemical Aging of Beijing Urban PM2.5: HONO Production. , 2018, Environmental science & technology.

[11]  K. Lin,et al.  Catalytic effect of a single water molecule on the OH + CH2NH reaction. , 2018, Physical chemistry chemical physics : PCCP.

[12]  J. Anglada,et al.  The Atmospheric Oxidation of HONO by OH, Cl, and ClO Radicals. , 2017, The journal of physical chemistry. A.

[13]  X. Tie,et al.  Concentration and sources of atmospheric nitrous acid (HONO) at an urban site in Western China. , 2017, The Science of the total environment.

[14]  Y. Sadanaga,et al.  Contributions of vehicular emissions and secondary formation to nitrous acid concentrations in ambient urban air in Tokyo in the winter. , 2017, The Science of the total environment.

[15]  Meigen Zhang,et al.  Observation of nitrous acid (HONO) in Beijing, China: Seasonal variation, nocturnal formation and daytime budget. , 2017, The Science of the total environment.

[16]  Jingwen Chen,et al.  Effects of Atmospheric Water on ·OH-initiated Oxidation of Organophosphate Flame Retardants: A DFT Investigation on TCPP. , 2017, Environmental science & technology.

[17]  R. Taccone,et al.  Water Catalysis of the Reaction between Methanol and OH at 294 K and the Atmospheric Implications. , 2017, Angewandte Chemie.

[18]  R. Crehuet,et al.  The Stability of α-Hydroperoxyalkyl Radicals. , 2016, Chemistry.

[19]  P. Shepson,et al.  Constraints on Arctic Atmospheric Chlorine Production through Measurements and Simulations of Cl2 and ClO. , 2016, Environmental science & technology.

[20]  Peng Zhang,et al.  Effect of a single water molecule on the formations of H2O2 + ClO from HO2 + HOCl reaction under tropospheric conditions , 2016 .

[21]  Manoj Kumar,et al.  Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry. , 2016, Accounts of chemical research.

[22]  Shengrui Tong,et al.  Comparison of atmospheric nitrous acid during severe haze and clean periods in Beijing, China , 2016 .

[23]  Weichao Zhang,et al.  The effect of (H2O)n (n = 1–2) or H2S on the hydrogen abstraction reaction of H2S by OH radicals in the atmosphere , 2015 .

[24]  Zhuqing Wang,et al.  Can a single water molecule really affect the HO2 + NO2 hydrogen abstraction reaction under tropospheric conditions? , 2015, Physical chemistry chemical physics : PCCP.

[25]  J. S. Francisco,et al.  Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes. , 2015, Accounts of chemical research.

[26]  F. Spataro,et al.  Sources of atmospheric nitrous acid: State of the science, current research needs, and future prospects , 2014, Journal of the Air & Waste Management Association.

[27]  Weichao Zhang,et al.  Catalytic effect of water, formic acid, or sulfuric acid on the reaction of formaldehyde with OH radicals. , 2014, The journal of physical chemistry. A.

[28]  M. Deleuze,et al.  Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the OH-addition pathway. , 2014, The journal of physical chemistry. A.

[29]  Frédéric Bohr,et al.  KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results† , 2014, J. Comput. Chem..

[30]  G. J. Hoffman,et al.  Atmospheric significance of water clusters and ozone-water complexes. , 2013, The journal of physical chemistry. A.

[31]  B. Loubet,et al.  HONO Emissions from Soil Bacteria as a Major Source of Atmospheric Reactive Nitrogen , 2013, Science.

[32]  Weichao Zhang,et al.  Theoretical study on the water-assisted reaction of NCO with HCHO. , 2013, The journal of physical chemistry. A.

[33]  T. Zhu,et al.  Occurrence of atmospheric nitrous acid in the urban area of Beijing (China). , 2013, The Science of the total environment.

[34]  H. Kjaergaard,et al.  On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals. , 2012, Physical chemistry chemical physics : PCCP.

[35]  P. Shepson,et al.  The relative importance of chlorine and bromine radicals in the oxidation of atmospheric mercury at Barrow, Alaska , 2012 .

[36]  J. Barker,et al.  Water effect on the OH + HCl reaction. , 2012, The journal of physical chemistry. A.

[37]  J. S. Francisco,et al.  Effects of a single water molecule on the OH + H2O2 reaction. , 2012, The journal of physical chemistry. A.

[38]  Y. H. Zhang,et al.  Exploring the atmospheric chemistry of nitrous acid (HONO) at a rural site in Southern China , 2011 .

[39]  M. Andreae,et al.  Soil Nitrite as a Source of Atmospheric HONO and OH Radicals , 2011, Science.

[40]  J. S. Francisco,et al.  Water effects on atmospheric reactions , 2011 .

[41]  Weijun Zhang,et al.  Theoretical studies on reactions of the stabilized H2COO with HO2 and the HO2···H2O complex. , 2011, The journal of physical chemistry. A.

[42]  S. Grimme,et al.  A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions. , 2011, Physical chemistry chemical physics : PCCP.

[43]  J. S. Francisco,et al.  Impact of water on the OH + HOCl reaction. , 2011, Journal of the American Chemical Society.

[44]  C. Iuga,et al.  Can a Single Water Molecule Really Catalyze the Acetaldehyde + OH Reaction in Tropospheric Conditions? , 2010 .

[45]  J. Anglada,et al.  Gas phase reaction of nitric acid with hydroxyl radical without and with water. A theoretical investigation. , 2010, The journal of physical chemistry. A.

[46]  Henrik G Kjaergaard,et al.  Effect of hydration on the hydrogen abstraction reaction by HO in DMS and its oxidation products. , 2010, The journal of physical chemistry. A.

[47]  R. Volkamer,et al.  Impacts of HONO sources on the photochemistry in Mexico City during the MCMA-2006/MILAGO Campaign , 2009 .

[48]  Luis Fernández Pacios,et al.  Characterization of two types of intermolecular interactions on halogen monoxide monohydrates , 2009, J. Comput. Chem..

[49]  B. Finlayson‐Pitts Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols. , 2009, Physical chemistry chemical physics : PCCP.

[50]  J. Szente,et al.  The effects of water vapor on the CH3O2 self-reaction and reaction with HO2. , 2008, Journal of Physical Chemistry A.

[51]  Jörg Kleffmann,et al.  Daytime sources of nitrous acid (HONO) in the atmospheric boundary layer. , 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

[52]  P. Shepson,et al.  A study of the vertical scale of halogen chemistry in the Arctic troposphere during Polar Sunrise at Barrow, Alaska , 2007 .

[53]  B. Hansmann,et al.  Water Catalysis of a Radical-Molecule Gas-Phase Reaction , 2007, Science.

[54]  Otto Schrems,et al.  Complexes and clusters of water relevant to atmospheric chemistry: H2O complexes with oxidants. , 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

[55]  J. Plane,et al.  Novel iodine chemistry in the marine boundary layer , 2004 .

[56]  B. Finlayson‐Pitts,et al.  The heterogeneous hydrolysis of NO2 in laboratory systems and in outdoor and indoor atmospheres: An integrated mechanism , 2003 .

[57]  Urs Baltensperger,et al.  Significance of semivolatile diesel exhaust organics for secondary HONO formation. , 2002, Environmental science & technology.

[58]  Ulrich Platt,et al.  Investigations of emissions and heterogeneous formation of HONO in a road traffic tunnel , 2001 .

[59]  G. Mcfiggans,et al.  Observations of iodine monoxide in the remote marine boundary layer , 2000 .

[60]  James N. Pitts,et al.  Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications , 1999 .

[61]  J. J. Dannenberg,et al.  Effect of Basis Set Superposition Error on the Water Dimer Surface Calculated at Hartree-Fock, Møller-Plesset, and Density Functional Theory Levels , 1999 .

[62]  Paul J. Crutzen,et al.  Iodine Chemistry and its Role in Halogen Activation and Ozone Loss in the Marine Boundary Layer: A Model Study , 1999 .

[63]  U. Platt,et al.  Iodine oxide in the marine boundary layer , 1999, Nature.

[64]  D. Nelson,et al.  Structure, binding energy, and equilibrium constant of the nitric acid‐Water complex , 1996 .

[65]  Douglas D. Davis,et al.  Potential impact of iodine on tropospheric levels of ozone and other critical oxidants , 1996 .

[66]  V. Vaida,et al.  Atmospheric implications of the photolysis of the ozone-water weakly bound complex , 1995 .

[67]  K. Morokuma,et al.  THEORETICAL STUDY OF THE GAS-PHASE STRUCTURE, THERMOCHEMISTRY, AND DECOMPOSITION MECHANISMS OF NH4NO2 AND NH4N(NO2)2 , 1995 .

[68]  S. Kjaergaard,et al.  Effects of nitrous acid exposure on human mucous membranes. , 1995, American journal of respiratory and critical care medicine.

[69]  A. Winer,et al.  Long pathlength differential optical absorption spectroscopy (D O A S) measurements of gaseous HONO, NO2 and HCNO in the California South Coast Air Basin , 1994 .

[70]  Pernilla Ouis,et al.  A matrix isolation study of the water complexes of chlorine, chlorine oxides (ClOCl, OClO) and hypochlorous acid and their photochemistry , 1992 .

[71]  J. Simon,et al.  Excited-state photoreactions of chlorine dioxide in water , 1992 .

[72]  and G F Adams,et al.  Chemical Reactions in Energetic Materials , 1992 .

[73]  D. Grosjean Atmospheric Chemistry of Toxic Contaminants. 6. Nitrosamines: Dialkyl Nitrosamines and Nitrosomorpholine , 1991 .

[74]  H. Rabitz,et al.  Nitramine propellant ignition and combustion research , 1991 .

[75]  M. Molina,et al.  Chemical kinetics and photochemical data for use in stratospheric modeling , 1985 .

[76]  R. Bartlett,et al.  A coupled cluster approach with triple excitations , 1984 .

[77]  Kenneth K. Kuo,et al.  Fundamentals of Solid-Propellant Combustion , 1984 .

[78]  Roger Atkinson,et al.  An Investigation of the Dark Formation of Nitrous Acid in Environmental Chambers , 1984 .

[79]  A. Winer,et al.  Spectroscopic identification and measurement of gaseous nitrous acid in dilute auto exhaust , 1984 .

[80]  U. Platt,et al.  Observations of nitrous acid in the Los Angeles atmosphere and implications for predictions of ozone-precursor relationships. , 1982, Environmental science & technology.

[81]  K. Fukui The path of chemical reactions - the IRC approach , 1981 .

[82]  Douglas D. Davis,et al.  Iodine - Its possible role in tropospheric photochemistry , 1980 .

[83]  R. A. Cox The photolysis of gaseous nitrous acid , 1974 .

[84]  S. F. Boys,et al.  The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .