The Role of (H2O)1-2 in the CH2O + ClO Gas-Phase Reaction

Role of the (H2O)n (n = 1–3) cluster in the HO2 + HO → 3O2 + H2O reaction: mechanistic and kinetic studies

(2018) Tianlei Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of a single water molecule on the HO2 + ClO reaction

(2018) Junyao Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inland Sea Spray Aerosol Transport and Incomplete Chloride Depletion: Varying Degrees of Reactive Processing Observed during SOAS

(2017) Amy L. Bondy et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor

(2017) Josep M. Anglada et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic effect of (H 2 O) n ( n = 1–2) on the hydrogen abstraction reaction of H 2 O 2 + HS → H 2 S + HO 2 under tropospheric conditions

(2017) Rui Wang et al.   Computational and Theoretical Chemistry

Isomerization of the methoxy radical revisited: the impact of water dimers

(2016) Pradeep Kumar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The catalytic effect of water, water dimers and water trimers on H2S + 3O2 formation by the HO2 + HS reaction under tropospheric conditions

(2016) Tianlei Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atmospheric oxidation of phenanthrene initiated by OH radicals in the presence of O2 and NOx — A theoretical study

(2016) Nan Zhao et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study

(2015) Luís P. Viegas et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The effect of (H2O)n (n=1–2) or H2S on the hydrogen abstraction reaction of H2S by OH radicals in the atmosphere

(2015) Benni Du et al.   Computational and Theoretical Chemistry

The effect of dispersion damping functions on the structure of water clusters

(2014) J. Hernández-Rojas et al.   CHEMICAL PHYSICS

Role of Water Molecule in the Gas-Phase Formation Process of Nitrated Polycyclic Aromatic Hydrocarbons in the Atmosphere: A Computational Study

(2014) Qingzhu Zhang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Catalytic Effect of Water, Formic Acid, or Sulfuric Acid on the Reaction of Formaldehyde with OH Radicals

(2014) Weichao Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Catalytic effect of water, water dimer, or formic acid on the tautomerization of nitroguanidine

(2014) Benni Du et al.   Computational and Theoretical Chemistry

Theoretical Study on the Water-Assisted Reaction of NCO with HCHO

(2013) Benni Du et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Atmospheric Significance of Water Clusters and Ozone–Water Complexes

(2013) Josep M. Anglada et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study

(2012) Xiaomin Sun et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Water Effect on the OH + HCl Reaction

(2012) Robert J. Buszek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of a Single Water Molecule on the OH + H2O2 Reaction

(2012) Robert J. Buszek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis

(2012) Erika A. Cobar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals

(2012) Ditte Linde Thomsen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water clusters to nanodrops: a tight-binding density functional study

(2012) Pere Miró et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water effects on atmospheric reactions

(2011) Robert J. Buszek et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

The (CH2)2O−H2O Hydrogen Bonded Complex. Ab Initio Calculations and Fourier Transform Infrared Spectroscopy from Neon Matrix and a New Supersonic Jet Experiment Coupled to the Infrared AILES Beamline of Synchrotron SOLEIL

(2011) M. Cirtog et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Studies on Reactions of the Stabilized H2COO with HO2and the HO2···H2O Complex

(2011) Bo Long et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Impact of Water on the OH + HOCl Reaction

(2011) Javier Gonzalez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the possible catalytic role of a single water molecule in the acetone + OH gas phase reaction: a theoretical pseudo-second-order kinetics study

(2011) Cristina Iuga et al.   THEORETICAL CHEMISTRY ACCOUNTS

The dimers of glyoxal and acrolein with H2O and HF: Negative intramolecular coupling and blue-shifted C–H stretch

(2010) Alfred Karpfen et al.   CHEMICAL PHYSICS LETTERS

Single water-molecule catalysis in the glyoxal+OH reaction under tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic study

(2010) Cristina Iuga et al.   CHEMICAL PHYSICS LETTERS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Water Complexes of Important Air Pollutants: Geometries, Complexation Energies, Concentrations, Infrared Spectra, and Intrinsic Reactivity

(2010) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Hydration on the Hydrogen Abstraction Reaction by HO in DMS and its Oxidation Products†

(2010) Solvejg Jørgensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Can a Single Water Molecule Really Catalyze the Acetaldehyde + OH Reaction in Tropospheric Conditions?

(2010) Cristina Iuga et al.   Journal of Physical Chemistry Letters

A computational investigation of the atmospheric reaction CH3O2+ClO

(2009) Agnie M. Kosmas et al.   CHEMICAL PHYSICS

Hydrated Complexes of Atmospheric Interest: Rotational Spectrum of Diacetyl−Water†

(2009) Laura B. Favero et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Generating Spectra from Ground-State Wave Functions: Unraveling Anharmonic Effects in the OH−·H2O Vibrational Predissociation Spectrum†

(2009) Anne B. McCoy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Gas-Phase Decomposition of CF3OH with Water: A Radical-Catalyzed Mechanism

(2009) Robert J. Buszek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Water-catalyzed gas-phase reaction of formic acid with hydroxyl radical: A computational investigation

(2008) Yi Luo et al.   CHEMICAL PHYSICS LETTERS

The Effects of Water Vapor on the CH3O2Self-Reaction and Reaction with HO2†

(2008) Alecia M. English et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Computational Study on the Decomposition of Formic Acid Catalyzed by (H2O)x,x= 0−3: Comparison of the Gas-Phase and Aqueous-Phase Results

(2008) Hsin-Tsung Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A