Solvent Effects in Chloroform Solution: Parametrization of the MST/SCRF Continuum Model (Unknown)
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- New search for: Luque, F. J.
- New search for: Zhang, Y.
- New search for: Alemán, C.
- New search for: Bachs, M.
- New search for: Gao, J.
- New search for: Orozco, M.
- New search for: Luque, F. J.
- New search for: Zhang, Y.
- New search for: Alemán, C.
- New search for: Bachs, M.
- New search for: Gao, J.
- New search for: Orozco, M.
In:
The Journal of Physical Chemistry
;
100
, 10
;
4269-4276
;
1996
- Article (Journal) / Electronic Resource
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Title:Solvent Effects in Chloroform Solution: Parametrization of the MST/SCRF Continuum Model
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Additional title:J. Phys. Chem.
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Contributors:Luque, F. J. ( author ) / Zhang, Y. ( author ) / Alemán, C. ( author ) / Bachs, M. ( author ) / Gao, J. ( author ) / Orozco, M. ( author )
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Published in:The Journal of Physical Chemistry ; 100, 10 ; 4269-4276
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Publisher:
- New search for: American Chemical Society
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Publication date:1996-03-07
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 100, Issue 10
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.
- 3879
-
Polarizabilities of Nitrogen Heterocyclic Molecules from Atom Monopole−Dipole Interaction TheoryShanker, Balasubramaniam / Applequist, Jon et al. | 1996
- 3882
-
Molecular Beams Studies of the Dissociation of Highly Excited NO2 Induced by Molecular CollidersBieler, C. R. / Sanov, A. / Capellos, C. / Reisler, H. et al. | 1996
- 3888
-
A Simple Model Indicating the Origin of the Angular Momentum Gap Law in Rotational TransferOsborne, Mark A. / Marks, Alison J. / McCaffery, Anthony J. et al. | 1996
- 3892
-
Environment-Dependent Photophysics of Polymer-Bound J Aggregates Determined by Time-Resolved Fluorescence Spectroscopy and Time-Resolved Near-Field Scanning Optical MicroscopyReid, Philip J. / Higgins, Daniel A. / Barbara, Paul F. et al. | 1996
- 3900
-
Potential Functions and Static and Dynamic Properties of Mg m+ Arn (mFanourgakis, G.S. et al. | 1996
- 3900
-
Potential Functions and Static and Dynamic Properties of Mg m +Ar n (m = 1, 2; n = 1−18) ClustersFanourgakis, G. S. / Farantos, S. C. et al. | 1996
- 3910
-
Unstable Intermediates in X-Irradiated Clathrate Hydrates: ESR and ENDOR of Tetramethylammonium Hydroxide Pentahydrate (TMNOH)Bednarek, Janusz / Lund, Anders / Schlick, Shulamith et al. | 1996
- 3917
-
Photochemistry of Deuterated Acetylketenes: Matrix Isolation Infrared Spectroscopic and ab Initio StudiesZuhse, Ralf H. / Wong, Ming Wah / Wentrup, Curt et al. | 1996
- 3923
-
IR and Photodecomposition Spectroscopic Study of HOClO and HClO2 in Argon MatricesJohnsson, Klas / Engdahl, Anders / Nelander, Bengt et al. | 1996
- 3923
-
IR and Photodecomposition Spectroscopic Study of HOCIO and HClO~2 in Argon MatricesJohnsson, K. / Engdahl, A. / Nelander, B. et al. | 1996
- 3923
-
IR and Photodecomposition Spectroscopic Study of HOClO and HClO2 in Argon MatncesJohnsson, Klas et al. | 1996
- 3927
-
Laser-Induced Fluorescence and Phosphorescence of C60 Isolated in Solid NeHung, Wen-Ching / Ho, Chang-Dar / Liu, Chin-Ping / Lee, Yuan-Pern et al. | 1996
- 3933
-
Photophysics of 2-Hydroxypyridine: An ab Initio StudySobolewski, Andrzej L. / Adamowicz, Ludwik et al. | 1996
- 3942
-
Density Functional Studies on N-Methylacetamide−Water ComplexesHan, Wen-Ge / Suhai, Sándor et al. | 1996
- 3950
-
Density Functional Theory of Molecular Solids: Local versus Periodic Effects in the Two-Dimensional Infinite Hydrogen-Bonded Sheet of FormamideSuhai, Sándor et al. | 1996
- 3959
-
Density and Temperature Effects on the Hydrogen Bond Structure of Liquid MethanolWallen, S. L. / Palmer, B. J. / Garrett, B. C. / Yonker, C. R. et al. | 1996
- 3965
-
Reliable Reaction Enthalpies for Neutral Amide Hydrolysis and the Heat of Formation for Formamide †Dobbs, Kerwin D. / Dixon, David A. et al. | 1996
- 3974
-
Hydrogen Transfer in 7-AzaindoleGordon, Mark S. et al. | 1996
- 3980
-
Electronic and Vibrational Structures of Countercation of Tetrakis(dimethylamino)ethylene (TDAE)−C60. Neutral and Cationic States of TDAETanaka, Kazuyoshi / Sato, Tohru / Yamabe, Tokio et al. | 1996
- 3983
-
Electron Diffraction and Vibrational Spectra of Difluorodioxirane, CF2O2Casper, Bernd / Christen, Dines / Mack, Hans-Georg / Oberhammer, Heinz / Argüello, Gustavo A. / Jülicher, Bernd / Kronberg, Marc / Willner, Helge et al. | 1996
- 3989
-
Critical Study of Fluoride−Water InteractionsXantheas, Sotiris S. / Dang, Liem X. et al. | 1996
- 3996
-
Interconversion and Rearrangement of the Radical Cations of Methylenecyclopropane, 1,4-Bis(methylene)cyclohexane, Tricyclo(2.2.2.01,4)octane, Dispiro(2.0.2.2)octane, and Dispiro(2.1.2.1)octane. 1. Theoretical StudiesLijser, Huub J.P.de et al. | 1996
- 3996
-
Interconversion and Rearrangement of the Radical Cations of Methylenecyclopropane, 1,4-Bis(methylene)cyclohexane, Tricyclo[2.2.2.0 , ]octane, Dispiro[2.0.2.2]octane, and Dispiro[2.1.2.1]octane. 1. Theoretical Studiesde Lijser, Huub J. P. / Arnold, Donald R. et al. | 1996
- 4011
-
Master Equation Analysis of Thermal Activation Reactions: Energy-Transfer Constraints on Falloff Behavior in the Decomposition of Reactive Intermediates with Low ThresholdsTsang, W. / Bedanov, V. / Zachariah, M. R. et al. | 1996
- 4019
-
Kinetic Studies of Chlorine Atom Reactions Using the Turbulent Flow Tube TechniqueSeeley, John V. / Jayne, John T. / Molina, Mario J. et al. | 1996
- 4026
-
Temperature and Pressure Dependence of the Rate Constant for the HO2 + NO ReactionSeeley, John V. / Meads, Roger F. / Elrod, Matthew J. / Molina, Mario J. et al. | 1996
- 4032
-
Reactions of CH3 + with C2N2, CH2CHCN, and HC3N: A Low-Pressure/High-Pressure StudyMcEwan, M. J. / Fairley, D. A. / Scott, G. B. I. / Anicich, V. G. et al. | 1996
- 4038
-
Absorption Spectrum and Kinetics of the Acetylperoxy RadicalRoehl, Coleen M. / Bauer, Dieter / Moortgat, Geert K. et al. | 1996
- 4048
-
Absolute Rate Measurements of the Reaction of OH Radicals with HCFC-21 (CHFCl2) and HCFC-22 (CHF2Cl) over an Extended Temperature RangeFang, Tunchen D. / Taylor, Philip H. / Dellinger, Barry et al. | 1996
- 4055
-
Conformation-Dependent Intramolecular Electron Transfer in N-(Aminoalkyl)-9-phenanthrenecarboxamidesLewis, Frederick D. / Burch, Eric L. et al. | 1996
- 4064
-
Transient Effect in Fluorescence Quenching by Electron Transfer. 3. Distribution of Electron Transfer Distance in Liquid and Solid SolutionsMurata, Shigeo / Tachiya, M. et al. | 1996
- 4071
-
Reaction Cross Section and Rate Constant Calculations for the D + H2(v=0,1) → HD + H Reaction on Three ab Initio Potential Energy Surfaces. A Quasiclassical Trajectory StudyAoiz, F. J. / Bañares, L. / Díez-Rojo, T. / Herrero, V. J. / Sáez Rábanos, V. et al. | 1996
- 4084
-
Photodissociation Processes of Ozone in the Huggins Band at 308−326 nm: Direct Observation of O(1D2) and O(3P j ) ProductsTakahashi, Kenshi / Matsumi, Yutaka / Kawasaki, Masahiro et al. | 1996
- 4090
-
One-Electron Oxidation and Reduction of Sulfites and Sulfinic Acids in Oxygenated Media: The Formation of Sulfonyl and Sulfuranyl Peroxyl RadicalsRazskazovskii, Yurii / Sevilla, Michael D. et al. | 1996
- 4097
-
Radiolytic Reduction of Tetrapropylporphycene and Its Iron, Cobalt, Nickel, Copper, and Tin ComplexesGuldi, Dirk M. / Neta, P. / Vogel, Emanuel et al. | 1996
- 4104
-
Nonlinear Optical Characteristics of Vanadyl Phthalocyanine Thin Film Grown by the Molecular Beam Epitaxial MethodFang, Shaoli / Hoshi, Hajime / Kohama, Keiichi / Maruyama, Yusei et al. | 1996
- 4111
-
Kinetics of the Reactions of Chlorine Atoms with C~2H~4 (k~1) and C~2H~2 (k~2): A Determination of cap deltaH~f~,~2~9~8 for C~2H~3Kaiser, E. W. / Wallington, T. J. et al. | 1996
- 4111
-
Kinetics of the Reactions of Chlorine Atoms with C2H4 (k1) and C2H2 (k2): A Determination of DHf.298o for C2H3Kaiser, E.W. et al. | 1996
- 4111
-
Kinetics of the Reactions of Chlorine Atoms with C2H4 (k 1) and C2H2 (k 2): A Determination of ΔH f,298° for C2H3Kaiser, E. W. / Wallington, T. J. et al. | 1996
- 4120
-
Dehydration of Cu−Hectorite: Water Isotherm, XRD, and EPR StudiesAnnabi-Bergaya, Faïza / Estrade-Szwarckopf, Henriette / Van Damme, Henri et al. | 1996
- 4127
-
Determination of the Quantum Yield for the Photochemical Generation of Hydroxyl Radicals in TiO2 SuspensionsSun, Lizhong / Bolton, James R. et al. | 1996
- 4135
-
Biphoton-lnduced Refractive Index Change in 4-Amino-4'-nitroazobenzene/PolycarbonateBach, H. / Anderle, K. / Fuhrmann, T. / Wendorff, J. H. et al. | 1996
- 4135
-
Biphoton-Induced Refractive Index Change in 4-Amino-4‘-nitroazobenzene/PolycarbonateBach, H. / Anderle, K. / Fuhrmann, Th. / Wendorff, J. H. et al. | 1996
- 4141
-
Nucleation and Growth of Three-Dimensional Structures in Supersaturated Arachidic Acid Monolayers: An Atomic Force Microscopy StudyVollhardt, D. / Kato, T. / Kawano, M. et al. | 1996
- 4148
-
Aluminum Distribution in Chabazite: An Experimental and Computational StudyAkporiaye, Duncan E. / Dahl, Ivar M. / Mostad, Helle B. / Wendelbo, Rune et al. | 1996
- 4154
-
FT-IR Studies of the Interaction between Zeolitic Hydroxyl Groups and Small Molecules. 3. Adsorption of Oxygen, Argon, Nitrogen, and Xenon on H−ZSM-5 at Low Temperatures †Wakabayashi, Fumitaka / Kondo, Junko N. / Domen, Kazunari / Hirose, Chiaki et al. | 1996
- 4160
-
Control of the Shape and the Size of Copper Metallic ParticlesLisiecki, I. / Billoudet, F. / Pileni, M. P. et al. | 1996
- 4167
-
Transport of Carbon Dioxide between the Gas Phase and Water under Well-Stirred Conditions: Rate Constants and Mass Accommodation CoefficientsNoyes, Richard M. / Rubin, Mordecai B. / Bowers, Peter G. et al. | 1996
- 4173
-
Local Spin Density Functional Theory Study of Copper Ion-Exchanged ZSM-5Trout, Bernhardt L. / Chakraborty, Arup K. / Bell, Alexis T. et al. | 1996
- 4180
-
Charge Transfer Switching in Photoexcited Ru(II) Porphyrins: A Time-Resolved Resonance Raman and Spectroelectrochemical StudyVitols, S. E. / Kumble, Ranjit / Blackwood, Milton E. / Roman, J. Scott / Spiro, Thomas G. et al. | 1996
- 4188
-
Fragmentation and Recombination of Molecules during Laser Vaporization of Cryogenic FilmsWeaver, Gabriela C. / Leone, Stephen R. et al. | 1996
- 4193
-
Dopant Reduction in p-Type Oxide Films upon Oxygen AbsorptionUekawa, N. / Kaneko, K. et al. | 1996
- 4199
-
Association of Electroactive Counterions with Polyelectrolytes. 6. Electrostatic and Coordinative Binding of Ru3+/2+ Centers to a Copolymer of Acrylic Acid and AcrylonitrileYoshikawa, Masaki / Anson, Fred C. et al. | 1996
- 4205
-
Water−Solid Interactions under Steady Magnetic Fields: Magnetic-Field-Induced Adsorption and Desorption of WaterOzeki, Sumio / Miyamoto, Junichi / Ono, Shinji / Wakai, Chihiro / Watanabe, Tomotaka et al. | 1996
- 4213
-
Small Silver Clusters in Smectite Clay InterlayersMichalik, J. / Yamada, H. / Brown, D. R. / Kevan, L. et al. | 1996
- 4219
-
Photocatalytic Oxidation of Toluene to Benzaldehyde by Molecular OxygenMao, Yun / Bakac, Andreja et al. | 1996
- 4224
-
Interstitial Orbitals for Simple Metals: 2D SystemsBaraille, Isabelle / Lepetit, Marie-Bernadette et al. | 1996
- 4229
-
Influence of Silver Addition on the Catalytic Behavior of CobaltChambers, Alan / Rodriguez, Nelly M. / Baker, R. Terry K. et al. | 1996
- 4237
-
Potential-Dependent Metal−Adsorbate Stretching Frequencies for Carbon Monoxide on Transition-Metal Electrodes: Chemical Bonding versus Electrostatic Field EffectsZou, Shouzhong / Weaver, Michael J. et al. | 1996
- 4243
-
Electrical Transport Studies in Alkali Borovanadate GlassesMuthupari, S. / Lakshmi Raghavan, S. / Rao, K. J. et al. | 1996
- 4251
-
Role of Solvent Permittivity in Estimation of Electrolyte Activity Coefficients on the Basis of the Mean Spherical ApproximationFawcett, W. Ronald / Tikanen, Alex C. et al. | 1996
- 4256
-
Computation of Gibbs Free Energies of Hydration for Simple Aromatic Molecules: A Comparative Study Using Monte Carlo and Molecular Dynamics Computer Simulation TechniquesMordasini Denti, Tiziana Z. / Beutler, Thomas C. / van Gunsteren, Wilfred F. / Diederich, François et al. | 1996
- 4261
-
Self-Consistent Microscopic Treatment of the Effects of Self-Motion of the Probe on Ionic and Dipolar Solvation DynamicsBiswas, Ranjit / Bagchi, Biman et al. | 1996
- 4269
-
Solvent Effects in Chloroform Solution: Parametrization of the MST/SCRF Continuum ModelLuque, F. J. / Zhang, Y. / Alemán, C. / Bachs, M. / Gao, J. / Orozco, M. et al. | 1996
- 4277
-
Electrostatic Potentials in Rhodopseudomonas viridis Reaction Centers: Implications for the Driving Force and Directionality of Electron Transfer †Gunner, M. R. / Nicholls, Anthony / Honig, Barry et al. | 1996
- 4292
-
Competitive Electrostatic Binding of Charged Ligands to Polyelectrolytes: Planar and Cylindrical GeometriesRouzina, Ioulia / Bloomfield, Victor A. et al. | 1996
- 4305
-
Influence of Ligand Spatial Organization on Competitive Electrostatic Binding to DNARouzina, Ioulia / Bloomfield, Victor A. et al. | 1996
- 4314
-
Constant-Pressure Molecular Dynamics Techniques Applied to Complex Molecular Systems and Solvated ProteinsPaci, Emanuele / Marchi, Massimo et al. | 1996
- 4323
-
Synthesis, X-ray Geometry, and Anodic Behavior of Tris[2-(hydroxymethyl)phenyl]phosphaneChalier, Florence / Berchadsky, Yves / Finet, Jean-Pierre / Gronchi, Gérard / Marque, Sylvain / Tordo, Paul et al. | 1996