Theoretical Study of OH and H2O Addition to SO2 (English)
- New search for: Li, Wai-Kee
- New search for: Li, Wai-Kee
- New search for: McKee, Michael L.
In:
The journal of physical chemistry <Washington, DC> / B
;
101
, 50
; 9778-9782
;
1997
-
ISSN:
- Article (Journal) / Print
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Title:Theoretical Study of OH and H2O Addition to SO2
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Contributors:Li, Wai-Kee ( author ) / McKee, Michael L.
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Published in:The journal of physical chemistry <Washington, DC> / B ; 101, 50 ; 9778-9782
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Publisher:
- New search for: Soc.
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Place of publication:Washington, DC
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Publication date:1997
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
- New search for: che 50
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Source:
Table of contents – Volume 101, Issue 50
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 9561
-
Electron Affinity of Some Endohedral Lanthanide FullerenesBoltalina, Olgs V. et al. | 1997
- 9564
-
Effects of Pressure and Temperature on the Dynamics of Liquid tert-Butyl AlcoholYonker, C.R. et al. | 1997
- 9571
-
Tb3+ Luminescence in Tb-Doped and Tb-Gd-Doped CsCdBr3 Crystals: 5D4--5D3 Cross-Relaxation Rates in Tb3+ PairsMay, P.Stanley et al. | 1997
- 9578
-
Ultrafast Dynamics of Liquid Anilines Studied by the Optical Kerr EffectSmith, Neil A. et al. | 1997
- 9587
-
Reexamination of Chirped Pulse Control of Wave Packet Motion in NaITang, Hui et al. | 1997
- 9594
-
Practical Aspects of Aligning Asymmetric Top Molecules via Single-Photon Excitation: An Application to S1 <-- S0 Excitation of GlyoxalWeida, Miles J. et al. | 1997
- 9603
-
Collisional Relaxation of Highly Vibrationally Excited cis-CIFC==CFCI Prepared by Multiphoton ExcitationCoronado, Eduardo A. et al. | 1997
- 9610
-
NMR Shieldings in Benzoyl and 2-Hydroxybenzoyl Compounds. Experimental versus GIAO Calculated DataLampert, Heike et al. | 1997
- 9618
-
Vibrational Absorption Intensities in Chemical Analysis. 9. The Near-Infrared Spectra of Methyl Branched AlkanesParker, Malcolm E. et al. | 1997
- 9632
-
Hydration of Bromide Ion in Supercritical Water: An X-ray Absorption Fine Structure and Molecular Dynamics StudyWallen, Scott L. et al. | 1997
- 9641
-
Perchlorovinylsilane (CI2C==CCI-SiCI3): Conformational Structure, Vibrational Analysis, and Torsional Potential Determined by Gas-Phase Electron Diffraction, ab Initio Calculations, and Variable Temperature Raman SpectroscopyJohansen, Tore H. et al. | 1997
- 9650
-
An IR Matrix Isolation and DFT Theoretical Study of the First Steps of the Ti(0) Ethylene Reaction: Vinyl Titanium Hydride and TitanacyclopropeneLee, Yu Kang et al. | 1997
- 9660
-
Reactions of Laser-Ablated A1, Ga, In, and T1 Atoms with Hydrogen Cyanide in Excess Argon. Matrix Infrared Spectra and Density Functional Theory Calculations on New Cyanide and Isocyanide ProductsLanzisera, Dominick V. et al. | 1997
- 9666
-
Reactions of Laser-Ablated Mg, Ca, Sr, and Ba Atoms with Hydrogen Cyanide in Excess Argon. Matrix Infrared Spectra and Density Functional Calculations on Novel Isocyanide ProductsLanzisera, Dominick V. et al. | 1997
- 9673
-
Photophysical Properties of Squaraine Derivatives: Evidence for Charge SeparationCornelissen-Gude, Claudia et al. | 1997
- 9678
-
Enhancing the Performance of Spontaneously Oscillatory Chemical ReactionsOtawara, K. et al. | 1997
- 9681
-
Temperature and Pressure Dependence of the Multichannel Rate Coefficients for the CH3 + OH SystemPereira, R.De Avillez et al. | 1997
- 9694
-
Absolute Determination of the Temperature Behavior of the NO2 + NO3 +(M) <--> N2O5 + (M) EquilibriumWängberg, I. et al. | 1997
- 9699
-
Reactive Scattering of OD Radicals with ICI and Br2 Molecules at Initial Translational Energy E - 90 kJ mol-1Mohr, S. et al. | 1997
- 9704
-
Pulse Radiolysis Studies on the Fragmentation of Arylmethyl Quaternary Nitrogen Mustards by One-Electron Reduction in Aqueous SolutionAnderson, Robert F. et al. | 1997
- 9710
-
High-Level ab Initio Calculations on the Intramolecular Hydrogen Bond in ThiomalonaldehydeGonzález, Leticia et al. | 1997
- 9720
-
Hydrogen Bonding in Supercritical Water. 2. Computer SimulationsKalinichev, A.G. et al. | 1997
- 9728
-
Linear Free Energy Relationship in Ion ThermochemistryShea, Dana A. et al. | 1997
- 9732
-
Bonding of Atomic S to Pt(111) from ab Initio Explicitly Correlated Cluster Model Wave FunctionsIllas, F. et al. | 1997
- 9738
-
Theoretical Study of the Atmospheric Reaction between Dimethyl Sulfide and Chlorine AtomsResende, Stella M. et al. | 1997
- 9745
-
Carbonyl Hypofluorite-A Density Functional Theoretical StudyMcKee, Michael L. et al. | 1997
- 9749
-
Infrared Intensities, Atomic Charges, and Dipole Moments in the Fluoroethane Series Using Atomic Polar Tensor AnalysisTai, S. et al. | 1997
- 9756
-
Calculation of NMR Chemical Shifts and Spin--Spin Coupling Constants in the Monosaccharide Methyl-?-D-xylopyranoside Using a Density Functional Theory ApproachHricovini, M. et al. | 1997
- 9763
-
Alanine Radicals: Structure Determination by EPR and ENDOR of Single Crystals X-Irradiated at 295 KSagstuen, Einar et al. | 1997
- 9773
-
Push-Pull Phthalocyanines: A Hammett Correlation between the Cubic Hyperpolarizability and the Donor-Acceptor Character of the SubstituentsSastre, A. et al. | 1997
- 9778
-
Theoretical Study of OH and H2O Addition to SO2Li, Wai-Kee et al. | 1997
- 9783
-
Vibrational Circular Dichroism Study of (-)-SparteineBour, Petr et al. | 1997
- 9791
-
Theoretical Study of the Influence of Electric Fields on Hydrogen-Bonded Acid--Base ComplexesRamos, Mar et al. | 1997
- 9801
-
Theoretical Study of the 15- and 17-Electron Structures of Cyclopentadienylchromium(III) and Cyclopentadienylmolybdenum(III) Complexes. Dichloride and Dimethyl CompoundsCacelli, Ivo et al. | 1997
- 9813
-
Effect of Hydrogen Bonding on the Spin Density Distribution and Hyperfine Couplings of the p-Benzosemiquinone Anion Radical in Alcohol Solvents: A Hybrid Density Fumctional StudyO'Malley, Patrick J. et al. | 1997
- 9818
-
Novel b-Distonic Radical Cations (CnH2n+2S).+ (nFlammang, Robert et al. | 1997
- 10607
-
Thermoresponsive Opalescence of N-Isopropylacrylamide/N,N‘-Methylene(bis)acrylamide Copolymer GelKatayama, Seiji et al. | 1997
- 10610
-
Optically Transparent, Single-Crystal-Like Oriented Mesoporous Silica Films and PlatesRyoo, Ryong / Ko, Chang Hyun / Cho, Sung June / Kim, Ji Man et al. | 1997
- 10614
-
Modeling the Interactions between Polymer-Coated SurfacesSingh, Chandralekha / Pickett, Galen T. / Zhulina, Ekaterina / Balazs, Anna C. et al. | 1997
- 10625
-
Spectral Dispersion of Third-Harmonic Generation in Thin Films Containing Transition Metal ComplexesGeisler, Tommy / Pedersen, Kjeld / Underhill, Allan E. / Dhindsa, Ajaib S. / Greve, Daniel R. / Bjørnholm, Thomas / Petersen, Jan C. et al. | 1997
- 10631
-
Photochromic Behavior in the Fluorescence Spectra of 9-Anthrol Encapsulated in Si−Al Glasses Prepared by the Sol−Gel MethodFujii, Tsuneo / Kodaira, Kazuhiko / Kawauchi, Osamu / Tanaka, Nobuaki / Yamashita, Hiromi / Anpo, Masakazu et al. | 1997
- 10638
-
Anion Distributions in Sodium Silicate Solutions. Characterization by 29SI NMR and Infrared Spectroscopies, and Vapor Phase OsmometryBass, Jonathan L. / Turner, Gary L. et al. | 1997
- 10645
-
Femtosecond Fluorescence Study of Proton-Transfer Process in Thermochromic Crystalline SalicylideneanilinesSekikawa, Taro / Kobayashi, Takayoshi / Inabe, Tamotsu et al. | 1997
- 10653
-
Cation Location in Dehydrated Na−Rb−Y Zeolite: An XRD and IR StudyMarra, G. L. / Fitch, A. N. / Zecchina, A. / Ricchiardi, G. / Salvalaggio, M. / Bordiga, S. / Lamberti, C. et al. | 1997
- 10661
-
Effect of Polymethylene-Chain Dynamics on the Lifetime of a Charge-Separated Biradical Studied by RYDMR SpectroscopyEnjo, Kentaro / Maeda, Kiminori / Murai, Hisao / Azumi, Tohru / Tanimoto, Yoshifumi et al. | 1997
- 10666
-
Structural Studies of 4‘-n-Alkoxy-3‘-nitrobiphenyl-4-carboxylic Acids by Infrared Spectroscopic AnalysisKutsumizu, Shoichi / Kato, Ryuji / Yamada, Minoru / Yano, Shinichi et al. | 1997
- 10674
-
Translational Diffusion in Sucrose Solutions in the Vicinity of Their Glass Transition TemperatureChampion, D. / Hervet, H. / Blond, G. / Le Meste, M. / Simatos, D. et al. | 1997
- 10680
-
Equilibrium Partitioning of a Dimerizing Fluid Through a Microporous Solid: A Monte Carlo Study of the Density Distributions and Adsorption IsothermsDuda, Youri / Henderson, Douglas / Millan-Malo, Beatriz / Pizio, Orest et al. | 1997
- 10688
-
XAFS Studies of Surface Structures of TiO2 Nanoparticles and Photocatalytic Reduction of Metal IonsChen, Lin X. / Rajh, Tijana / Wang, Zhiyu / Thurnauer, Marion C. et al. | 1997
- 10698
-
Structure of Conduction Electrons on Polysilanes As Studied by Electron Spin-Echo Envelope Modulation AnalysisIchikawa, Tsuneki / Koizumi, Hitoshi / Kumagai, Jun et al. | 1997
- 10704
-
Carbon Black: A Precursor for Fullerene and Metallofullerene ProductionHopwood, Femia G. / Fisher, Keith J. / Greenhill, Paul / Willett, Gary D. / Zhang, Rui et al. | 1997
- 10709
-
Pore Structure Characterization of Mesoporous/Microporous Materials by 1H NMR Using Water as a Probe MoleculeHansen, Eddy Walther / Tangstad, Elisabeth / Myrvold, Elisabeth / Myrstad, Trond et al. | 1997
- 10715
-
Some Thermodynamic Properties of C76 and C84Brunetti, Bruno / Gigli, Guido / Giglio, Edoardo / Piacente, Vincenzo / Scardala, Paolo et al. | 1997
- 10719
-
STM Contrast, Electron-Transfer Chemistry, and Conduction in MoleculesHan, Wenhai / Durantini, Edgardo N. / Moore, Thomas A. / Moore, Ana L. / Gust, Devens / Rez, Peter / Leatherman, Gerald / Seely, Gilbert R. / Tao, Nongjian / Lindsay et al. | 1997
- 10726
-
Direct Detection of the Hole Migration along the Polymer Chain by Means of Picosecond Transient Absorption and Dichroism Measurements: Poly(N-vinylbenzocarbazole) Systems in 1,2-Dichloroethane SolutionMiyasaka, Hiroshi / Moriyama, Takao / Itaya, Akira et al. | 1997
- 10733
-
Shock-Induced Chemical Changes in Neat Nitromethane: Use of Time-Resolved Raman SpectroscopyWiney, J. M. / Gupta, Y. M. et al. | 1997
- 10744
-
Surface-Functionalized Polyaniline FilmsKang, E. T. / Neoh, K. G. / Huang, S. W. / Lim, S. L. / Tan, K. L. et al. | 1997
- 10751
-
Water Confined in Reverse Micelles: Acoustic and Densimetric StudiesAmararene, A. / Gindre, M. / Le Huérou, J.-Y. / Nicot, C. / Urbach, W. / Waks, M. et al. | 1997
- 10757
-
Electrohydrodynamics of Dye Molecules in an Isotropic Liquid Crystal Studied by the Transient Grating MethodJin, Daeseong / Kim, Hackjin / Kim, Sun Hee / Kim, Seong Kyu et al. | 1997
- 10763
-
Electron Spin Resonance and Electron Spin Echo Modulation Spectroscopic Studies of Chromium Ion Location and Adsorbate Interactions in Calcined CrAPSO-11Zhu, Zhidong / Wasowicz, Tomasz / Kevan, Larry et al. | 1997
- 10769
-
CO + O2 and CO + NO Reactions over Pd/Al2O3 CatalystsRainer, D. R. / Koranne, M. / Vesecky, S. M. / Goodman, D. W. et al. | 1997
- 10775
-
Structure and Dynamics of Water in the Presence of Charged Surfactant Monolayers at the Water−CCl4 Interface. A Molecular Dynamics StudySchweighofer, Karl J. / Essmann, Ulrich / Berkowitz, Max et al. | 1997
- 10781
-
Influence of Electron−Hole Pair Excitation on Dissociative StickingMengel, Signe Kvist / Billing, Gert D. et al. | 1997
- 10791
-
Visible-Light-Induced and Long-Lived Charge Separation in a Transparent Nanostructured Semiconductor Membrane Modified by an Adsorbed Electron Donor and Electron AcceptorHoyle, Robert / Sotomayor, Joao / Will, Geoffrey / Fitzmaurice, Donald et al. | 1997
- 10801
-
Rate Constant for Ion Transfer in Inhomogeneous Media at the Interface of Immiscible ElectrolytesKontturi, Kyösti / Manzanares, José A. / Murtomäki, Lasse / Schiffrin, David J. et al. | 1997
- 10807
-
Electrophysical Properties of Polymer Electrolyte Membranes: A Random Network ModelEikerling, M. / Kornyshev, A. A. / Stimming, U. et al. | 1997
- 10821
-
Assessing the Role of Interfacial Electrostatics in Oriented Mineral Nucleation at Charged Organic MonolayersLochhead, Michael J. / Letellier, Shelli R. / Vogel, Viola et al. | 1997
- 10828
-
Intermicellar Material Exchange and Droplet Clustering in AOT Reverse Micellar Systems. A Pulse Radiolysis Study of (SCN)2 •- Radical Anion Spectra and DecayGebicki, Jerzy L. / Gebicka, Lidia et al. | 1997
- 10833
-
Measurement of Adhesion Force To Determine Surface Composition in an Electrochemical EnvironmentSerafin, Joseph M. / Gewirth, Andrew A. et al. | 1997
- 10839
-
Light Scattering on Semidilute Polyelectrolyte Solutions: Ionic Strength and Polyelectrolyte Concentration DependenceTanahatoe, J. J. / Kuil, M. E. et al. | 1997
- 10845
-
Sonoluminescence from Aqueous Alcohol and Surfactant SolutionsAshokkumar, Muthupandian / Hall, Robert / Mulvaney, Paul / Grieser, Franz et al. | 1997
- 10851
-
Measurement of Local Reactivity at Liquid/Solid, Liquid/Liquid, and Liquid/Gas Interfaces with the Scanning Electrochemical Microscope: Principles, Theory, and Applications of the Double Potential Step Chronoamperometric ModeSlevin, Christopher J. / Macpherson, Julie V. / Unwin, Patrick R. et al. | 1997
- 10860
-
Reaction of S2 with ZnO and Cu/ZnO Surfaces: Photoemission and Molecular Orbital StudiesChaturvedi, Sanjay / Rodriguez, Jose A. / Hrbek, Jan et al. | 1997
- 10870
-
Structure of Discotic Liquid Crystalline Compounds at the Air−Water InterfaceGidalevitz, David / Mindyuk, Oksana Y. / Heiney, Paul A. / Ocko, Benjamin M. / Henderson, Philippe / Ringsdorf, Helmut / Boden, Neville / Bushby, Richard J. / Martin, Philip S. / Strzalka, Joseph et al. | 1997
- 10876
-
Evidence for Faradaic Processes in Scanning Probe Microscopy on Mica in Humid AirForouzan, Fardad / Bard, Allen J. et al. | 1997
- 10880
-
Water on Salt: An Infrared Study of Adsorbed H2O on NaCl(100) under Ambient ConditionsPeters, Steven J. / Ewing, George E. et al. | 1997
- 10887
-
Experimental Studies of Vapor-Deposited Water−Ice Films Using Grazing-Angle FTIR-Reflection Absorption SpectroscopyZondlo, Mark A. / Onasch, Timothy B. / Warshawsky, Matthew S. / Tolbert, Margaret A. / Mallick, Govind / Arentz, Pamela / Robinson, Marin S. et al. | 1997
- 10896
-
Relationship between Triple Ion Formation Constants and the Salt Concentration of the Minimum in the Conductometric Curves in Low-Permittivity SolventsChen, Zhidong / Hojo, Masashi et al. | 1997
- 10903
-
Electrostatic Potential and Free Energy of Proteins: A Comparison of the Poisson−Boltzmann and the Bogolyubov−Born−Green−Yvon EquationsGavryushov, Sergei / Zielenkiewicz, Piotr et al. | 1997
- 10910
-
Effect of Polarizability on the Potential of Mean Force of Two Cations. The Guanidinium−Guanidinium Ion Pair in WaterSoetens, Jean-Christophe / Millot, Claude / Chipot, Christophe / Jansen, Georg / Ángyán, János G. / Maigret, Bernard et al. | 1997
- 10918
-
Local Excess Density about Substituted Benzene Compounds in Supercritical CO2 Based on FT-IR SpectroscopyWada, N. / Saito, M. / Kitada, D. / Smith, R. L. / Inomata, H. / Arai, K. / Saito, S. et al. | 1997
- 10923
-
Molecular Vibrations of Solvated Uracil. Ab Initio Reaction Field Calculations and ExperimentIlich, Predrag / Hemann, Craig F. / Hille, Russ et al. | 1997
- 10939
-
Recombination Dynamics and EPR Spectra of the Primary Radical Pair in Bacterila Photosynthetic Reaction Centers with Blocked Electron Transfer to the Primary AcceptorTill, U. / Klenina, I. B. / Proskuryakov, I. I. / Hoff, A. J. / Hore, P. J. et al. | 1997
- 10949
-
Molecular Dynamics Simulations of the Time Dependent Dipolar Correlation Function for Esters Containing Substituted 1,3-Dioxacyclohexane Rings in Their StructureSaiz, E. / Riande, E. / Díaz-Calleja, R. / Guzmán, J. et al. | 1997
- 10954
-
Dielectric Relaxation of Biological Water †Nandi, Nilashis / Bagchi, Biman et al. | 1997
- 10962
-
Molecular Simulation of Peptide Interactions with an RP-HPLC SorbentYarovsky, I. / Hearn, M. T. W. / Aguilar, M. I. et al. | 1997
- 10971
-
Calculation of Chloroform/Water Partition Coefficients for the N-Methylated Nucleic Acid BasesEksterowicz, John E. / Miller, Jennifer L. / Kollman, Peter A. et al. | 1997
- 10976
-
Thermodynamics of the Conversion of Chorismate to Prephenate: Experimental Results and Theoretical PredictionsKast, Peter / Tewari, Yadu B. / Wiest, Olaf / Hilvert, Donald / Houk, Kendall N. / Goldberg, Robert N. et al. | 1997