Sulfuric Acid Formation via H 2 SO 3 Oxidation by H 2 O 2 in the Atmosphere
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September 2019 |
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
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June 2017 |
Photodissociation of (SO2)m(H2O)n clusters employing femtosecond pump-probe spectroscopy
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April 2005 |
On the Nature of Sulphurous acid
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July 1958 |
An upper limit to the concentration of an SO2 complex at the air–water interface at 298 K: infrared experiments and ab initio calculations
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April 2002 |
Tetrel, pnictogen and chalcogen bonds identified in the gas phase before they had names: a systematic look at non-covalent interactions
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January 2017 |
The radiolysis of SO2 and H2S in water ice: Implications for the icy jovian satellites
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August 2007 |
Microwave spectrum of sulfur dioxide in doubly excited vibrational states and determination of the γ constants
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January 1969 |
A simple and efficient CCSD(T)-F12 approximation
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December 2007 |
Ab initio study of the reaction of OH radical with methyl sulfinic acid (MSIA)
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June 2007 |
Elusive Sulfurous Acid: Gas-Phase Basicity and IR Signature of the Protonated Species
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April 2015 |
An efficient internally contracted multiconfiguration–reference configuration interaction method
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November 1988 |
The microwave spectrum and structure of the H 2 O–SO 2 complex
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November 1989 |
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
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January 1993 |
Pyrolysis Pathways of Sulfonated Polyethylene, an Alternative Carbon Fiber Precursor
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April 2013 |
Collision Induced Complex Formation following Electron Capture of SO 2 –H 2 O Complex Interacting with Argon Atoms
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August 2011 |
Formation of sulfuric acid and sulfur trioxide/water complex from photooxidation of hydrogen sulfide in solid oxygen at 15 K
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June 1984 |
The estimation of equilibrium molecular structures from zero-point rotational constants
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December 1973 |
Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory
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September 2014 |
Some sulphur dioxide complexes in solid nitrogen
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January 1983 |
Towards understanding the role of amines in the SO2 hydration and the contribution of the hydrated product to new particle formation in the Earth's atmosphere
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August 2018 |
The diagonal correction to the Born–Oppenheimer approximation: Its effect on the singlet–triplet splitting of CH 2 and other molecular effects
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April 1986 |
Infrared spectra of the (H2O)n–SO2 complexes in argon matrices
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July 2006 |
Adsorption and Reaction of CO 2 and SO 2 at a Water Surface
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March 2006 |
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
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April 1988 |
Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F (X=F, Cl, CN, OH, SH, NH2, PH2)
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May 2003 |
Thermal and energetic processing of astrophysical ice analogues rich in SO 2
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August 2017 |
Infrared Absorption Spectra of SO 2 and CO 2 in Aqueous Solution
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May 1958 |
SO2 revisited: Impact of tight d augmented correlation consistent basis sets on structure and energetics
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December 2003 |
About the Stability of Sulfurous Acid (H2SO3) and Its Dimer.
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April 2003 |
The heat of formation of NCO
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September 1993 |
Water-Mediated Proton Transfer: A Mechanistic Investigation on the Example of the Hydration of Sulfur Oxides
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May 2001 |
The HSO−SOH Isomers Revisited: The Effect of Tight d Functions †
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April 2004 |
Gas-phase hydrolysis of triplet SO2: A possible direct route to atmospheric acid formation
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July 2016 |
Explicitly correlated coupled cluster methods with pair-specific geminals
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February 2011 |
How relevant are S=O and P=O Double Bonds for the Description of the Acid Molecules H2SO3, H2SO4, and H3PO4, respectively?
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February 2000 |
On the Formation of the Sulfonate Ion from Hydrated Sulfur Dioxide
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April 2004 |
General derivative relations for anharmonic force fields
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December 1996 |
Ab Initio Study of SO 2 + H 2 O
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June 1998 |
Ab initio calculation on thermochemistry of CH3SOxH (x=1–3) and H2SOy (y=2,3)
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April 2002 |
Mechanism of the Gaseous Hydrolysis Reaction of SO 2 : Effects of NH 3 versus H 2 O
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December 2014 |
Mechanism of Aqueous-Phase Ozonation of S(IV)
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February 2010 |
Sulfurous acid (H2SO3) on Io?
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May 2004 |
Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: A combined experimental and theoretical study
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September 2012 |
Theoretical Study of OH and H 2 O Addition to SO 2
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December 1997 |
Interpreting Vibrational Sum-Frequency Spectra of Sulfur Dioxide at the Air/Water Interface: A Comprehensive Molecular Dynamics Study
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June 2010 |
The anharmonic force field of ethylene, C 2 H 4 , by means of accurate ab initio calculations
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August 1995 |
Theoretical study on the atmospheric reaction of SO2 with the HO2 and HO2·H2O complex formation HSO4 and H2SO3
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July 2014 |
Structure and stability of the gas phase complex of SO2 with H2O
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January 1981 |
Chilling Out: A Cool Aqueous Environment Promotes the Formation of Gas–Surface Complexes
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May 2011 |
Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation
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April 2011 |
About the Stability of Sulfurous Acid (H2SO3) and Its Dimer
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December 2002 |
Tautomeric equilibria and p K a values for 'sulfurous acid' in aqueous solution: a thermodynamic analysis
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February 1979 |
Ultrafast Dynamics of the SO 2 (H 2 O) n Cluster System
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September 2005 |
Quantum mechanical studies of weakly bound molecular clusters
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April 1994 |
H-implantation in SO2 and CO2 ices
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July 2008 |
Gas-Phase Acidities of Nine Sulfur Oxoacids of Composition [H2,S,On] (n = 1–4)
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April 2000 |
On the competing hydrations of sulfur dioxide and sulfur trioxide in our atmosphere
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January 2000 |
Staying hydrated: the molecular journey of gaseous sulfur dioxide to a water surface
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January 2013 |
In pursuit of the ab initio limit for conformational energy prototypes
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June 1998 |
Theoretical study of the auto-catalyzed hydrolysis reaction of sulfur dioxide
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January 2016 |
Triplet state promoted reaction of SO 2 with H 2 O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes
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January 2019 |
Multichannel RRKM-TST and Direct-Dynamics CVT Study of the Reaction of Hydrogen Sulfide with Ozone
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July 2013 |
A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
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July 1988 |
Thermal and energetic processing of astrophysical ice analogues rich in SO$_2$
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January 2017 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
Thermodynamics of solution of SO2(g) in water and of aqueous sulfur dioxide solutions
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September 1985 |
Ab initioMO calculations for the oxides, oxyacids, and oxyanions of S(IV) and S(VI)
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October 1981 |
Ab Initio Studies of the Thermochemistry of the Bisulfite and the Sulfonate Ions and Related Compounds
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May 1995 |
VPT2+K spectroscopic constants and matrix elements of the transformed vibrational Hamiltonian of a polyatomic molecule with resonances using Van Vleck perturbation theory
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June 2013 |
Counterpoise corrected geometries of hydrated complexes
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October 2006 |
Anatomy of relativistic energy corrections in light molecular systems
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November 2001 |
Structures, Energetics, and IR Spectra of Monohydrated Inorganic Acids: Ab initio and DFT Study
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August 2011 |
Ab initio molecular orbital calculations of the structures and vibrational spectra of some molecular complexes containing sulphur dioxide
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April 2009 |
Gas-phase thermochemical properties of the bicarbonate and bisulfite ions
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September 1992 |
NBO 6.0 : Natural bond orbital analysis program
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March 2013 |
Sulfur Dioxide and Water: Structures and Energies of the Hydrated Species SO 2 · n H 2 O, [HSO 3 ] - · n H 2 O, [SO 3 H] - · n H 2 O, and H 2 SO 3 · n H 2 O ( n = 0-8)
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April 2009 |
SO3 revisited: Impact of tight d augmented correlation consistent basis sets on atomization energy and structure
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August 2004 |
Infrared spectroscopy of SO2 aqueous solutions
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August 2002 |
Generation and Characterization of Sulfurous Acid(H2SO3) and of Its Radical Cation as Stable Species in the Gas Phase
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November 1988 |
The Absorption of Atmospheric Sulfur Dioxide by Water Solutions
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June 1967 |
Hydrolysis, Solvation, and Reduction of SO 3 , S 2 O 6 , ClO 3 (OH), Cl 2 O 7 , and ArO 4 Relating Chemical Properties to the Instability of SO, ClO, and ArO Groups
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January 2002 |
Sources of error in electronic structure calculations on small chemical systems
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February 2006 |
Coupling Interactions between Sulfurous Acid and the Hydroperoxyl Radical
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December 2009 |
A vibrational-spectroscopic study of the SO2?H2O system
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May 1975 |
Reaction path following in mass-weighted internal coordinates
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July 1990 |
Interaction of SO 2 with the Surface of a Water Nanodroplet
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November 2017 |
Characterization of Sulfurous Acid, Sulfite, and Bisulfite Aerosol Systems
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April 2012 |
Microwave Spectra of Molecules of Astrophysical Interest VIII. Sulfur Monoxide
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January 1974 |
The standard enthalpies of ionization of sulfurous acid and the standard enthalpies of solution of sodium sulfite and sodium metabisulfite in water at 298.15 K
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April 1987 |
Gaussian basis sets for use in correlated molecular calculations. V. Core‐valence basis sets for boron through neon
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September 1995 |
Theoretical study of the oxidation reactions of sulfurous acid/sulfite with ozone to produce sulfuric acid/sulfate with atmospheric implications
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January 2018 |
Efficient Thermal Reactions of Sulfur Dioxide on Ice Surfaces at Low Temperature: A Combined Experimental and Theoretical Study
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September 2017 |
Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study
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October 2015 |
Vibrational Spectroscopy of Nitroalkane Chains Using Electron Autodetachment and Ar Predissociation
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August 2008 |
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
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December 2002 |
On the ab initio determination of higher‐order force constants at nonstationary reference geometries
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February 1993 |
Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar
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February 2008 |
Sulfur X-ray Absorption and Vibrational Spectroscopic Study of Sulfur Dioxide, Sulfite, and Sulfonate Solutions and of the Substituted Sulfonate Ions X 3 CSO 3 - (X = H, Cl, F)
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October 2007 |
The solubility of SO2 and the dissociation of H2SO3 in NaCl solutions
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May 1989 |
A speciation study of sulfur( iv ) in aqueous solution
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January 2014 |
Structure and energetics of weakly bound water–sulfur dioxide complexes
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October 2007 |
SO 2 :H 2 O Surface Complex Found at the Vapor/Water Interface
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December 2005 |
Basis-set convergence of correlated calculations on water
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June 1997 |
Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
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June 2001 |
Atmospheric Hydroxyl Radical Source: Reaction of Triplet SO 2 and Water
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April 2018 |
Toward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers
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June 2004 |
Infrared matrix isolation studies of complexes between water and sulfur dioxide: Identification and structure of the 1:1, 1:2, and 2:1 species
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January 1988 |