Journal of Physical Chemistry

Journal of Physical Chemistry, Vol.100, No.40 Entire volume, number list

ISSN: 0022-3654 (Print)

In this Issue (65 articles)

16041 - 16044	Photocatalytic Decomposition of No at 275 K on Titanium-Oxides Included Within Y-Zeolite Cavities - The Structure and Role of the Active-Sites Yamashita H, Ichihashi Y, Anpo M, Hashimoto M, Louis C, Che M
16045 - 16052	Photolysis of the Dichlorocyclobutenedione in Rare-Gas at 10 K - Infrared Spectral-Analysis and Ab-Initio Calculations of Vibrational Frequencies - First Identification of 2 New Species (Dichloro-Substituted Bisketene and Dichloropropadienone) - Kinetics and Reaction-Mechanism Mincu I, Hillebrand M, Allouche A, Cossu M, Verlaque P, Aycard JP, Pourcin J
16053 - 16057	Infrared-Spectroscopy of Hydrogen-Bonded Phenol-Amine Clusters in Supersonic Jets Iwasaki A, Fujii A, Watanabe T, Ebata T, Mikami N
16058 - 16065	The Force-Field of Bromoform - A Theoretical and Experimental Investigation Fernandezliencres MP, Navarro A, Lopez JJ, Fernandez M, Szalay V, Delosarcos T, Garciaramos JV, Escribano RM
16066 - 16071	Steric Effects on Electronically Excited Product Channels in Reactions Between Ca(D-1(2)) and CH(3)X(Jkm) (X=cl, Br) Janssen MH, Parker DH, Stolte S
16072 - 16081	Semiclassical Calculations on the Energy-Dependence of the Steric Effect for the Reactions Ca(D-1)+ch(3)X (Jkm=111)-)Cax+ch3 with X=f, Cl, Br Meijer AJ, Groenenboom GC, Vanderavoird A
16082 - 16086	Structural Information from Ion Mobility Measurements - Effects of the Long-Range Potential Mesleh MF, Hunter JM, Shvartsburg AA, Schatz GC, Jarrold MF
16087 - 16091	Reaction Field Models for the Solvent Influence upon the Fundamental Carbonyl Vibrational Peak of 2-Butanone in Aprotic Media Kolling OW
16092 - 16097	Bonding, Electronic, and Vibrational Analysis of the Al-C2H4 Complex Using Density-Functional Theory and Topological Method (ELF) Alikhani ME, Bouteiller Y, Silvi B
16098 - 16104	Solvent Effects .5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation Ab-Initio Reaction Field Calculations Foresman JB, Keith TA, Wiberg KB, Snoonian J, Frisch MJ
16105 - 16108	Local Density-Functional Polarizabilities and Hyperpolarizabilities at the Basis-Set Limit Dickson RM, Becke AD
16109 - 16115	An Ab-Initio Study of the C3H2O Potential Surface - A Mechanism for Propynal Formation and Destruction Ekern S, Szczepanski J, Vala M
16116 - 16125	Cation-Ether Complexes in the Gas-Phase - Bond-Dissociation Energies and Equilibrium Structures of Li+(1,2-Dimethoxyethane)(X), X=1 and 2, and Li+(12-Crown-4) Ray D, Feller D, More MB, Glendening ED, Armentrout PB
16126 - 16130	Popular Electronic-Structure Principles in a Dynamical Context Chattaraj PK, Sengupta S
16131 - 16136	Comparison Between Diketones and Diamides - Effects of Carbonyl Groups on the Conformational Preferences of Small Aliphatic Segments Aleman C, Navarro E, Puiggali J
16137 - 16140	Theoretical-Study of Dimethyl Sulfoxide-Anion Clusters Burk P, Molder U, Koppel IA, Rummel A, Trummal A
16141 - 16146	Tautomeric Equilibria of Hydroxypyridines in Different Solvents - An Ab-Initio Study Wang JH, Boyd RJ
16147 - 16154	Ring-Opening of Cyclopropylidene and Internal-Rotation of Allene Bettinger HF, Schreiner PR, Schleyer PV, Schaefer HF
16155 - 16161	Structures and Energetics of New Nitrogen and Silicon Molecules - An Ab-Initio Study of Si2N2 Ornellas FR, Iwata S
16162 - 16168	Carbon-Carbon Rotational Barriers in Butane, 1-Butene, and 1,3-Butadiene Murcko MA, Castejon H, Wiberg KB
16169 - 16174	Displacement Dynamics of Fluorine-Atoms Reacting with Bromobenzene and Iodobenzene Molecules Wang JJ, Smith DJ, Grice R
16175 - 16186	Proton-Transfer Processes in Well-Defined Media - Experimental Investigation of Photoinduced and Thermal Proton-Transfer Processes in Single-Crystals of 2-(2,4-Dinitrobenzyl)Pyridine Derivatives Scherl M, Haarer D, Fischer J, Decian A, Lehn JM, Eichen Y
16187 - 16194	Quantum-Chemical Investigations of the Thermal and Photoinduced Proton-Transfer Reactions of 2-(2’,4’-Dinitrobenzyl)Pyridine Frank I, Grimme S, Peyerimhoff SD
16195 - 16200	Absolute Fluorescence Yields from Electron-Irradiated Gases .2. KrF-Asterisk and XeF-Asterisk Cooper R, Mezyk SP, Young JG
16201 - 16208	Bronsted-Acid Behavior of C-6(H,D)(7)(+) Benzenium Ions - A Combined Approach by Radiolytic, FA-Sift, and FT-ICR Methodologies Chiavarino B, Crestoni ME, Depuy CH, Fornarini S, Gareyev R
16209 - 16212	Double-Diffusive Convection in Traveling Waves in the Iodate-Sulfite System Explained Pojman JA, Komlosi A, Nagy IP
16213 - 16217	Ultraviolet Photoemission Spectra of Perchlorate-Doped Cispolyacetylene and Transpolyacetylene Kamiya K, Miyamae T, Oku M, Seki K, Inokuchi H, Tanaka C, Tanaka J
16218 - 16221	Adsorption and Aggregation of a Cationic Cyanine Dye on Smectites Ogawa M, Kawai R, Kuroda K
16222 - 16231	Theoretical Vibrational-Spectra of Neutral and Doped Poly(P-Phenylene Sulfide) Oligomers Musso GF, Narizzano R, Piaggio P, Dellepiane G, Borghesi A
16232 - 16237	Electron-Transfer to (60)Fullerene and Its O-Quinodimethane Adducts in Dimethyl-Sulfoxide (EPR, Visible/Near-Ir, and Electrochemical Study) Brezova V, Gugel A, Rapta P, Stasko A
16238 - 16241	Diffuse-Reflectance Ir Study of Co Adsorption on a Bimetallic Pt-Pd Catalyst Supported on NaY Zeolite - Evidence of Alloy Formation Rades T, Borovkov VY, Kazansky VB, Polissetthfoin M, Fraissard J
16242 - 16246	C-13 NMR Relaxation Studies of Pyridine and Pentafluoropyridine Liquids Confined to Nanopores of Porous Silica Glasses Xu S, Jonas J
16247 - 16254	Alloy Formation and Stability in Pd-Cu Bimetallic Catalysts Fernandezgarcia M, Anderson JA, Haller GL
16255 - 16262	Interpretation of the Binding-Energy and Auger Parameter Shifts Found by XPS for TiO2 Supported on Different Surfaces Mejias JA, Jimenez VM, Lassaletta G, Fernandez A, Espinos JP, Gonzalezelipe AR
16263 - 16267	Direct Observation of N-2 Self-Diffusion in Zeolitic Adsorbents Using N-15 Pfg NMR Mcdaniel PL, Coe CG, Karger J, Moyer JD
16268 - 16274	Counterion Binding and Regulation of Interactions Between Charged Bilayers Patrick HN, Warr GG
16275 - 16281	Structure and Bonding in Metal-Oxide Systems - The Cumgo and Cucao Molecular-Systems Lopez N, Illas F
16282 - 16284	Saccharide-Induced Volume Phase-Transition of Poly(N-Isopropylacrylamide) Gels Kawasaki H, Sasaki S, Maeda H, Mihara S, Tokita M, Komai T
16285 - 16292	Modification of the Surfaces of Silica, Silica-Alumina, and Aluminum Silicate with Chlorotrimethylsilane Slavov SV, Chuang KT, Sanger AR
16293 - 16297	Stimulated Raman Gain Spectroscopy of Thin-Layers Using Dielectric Wave-Guides Kanger JS, Otto C, Greve J
16298 - 16301	Reduction of the Bitter Taste Intensity of Propantheline Bromide by Cyclodextrins as Predicted by Surface-Tension Measurements Funasaki N, Uemura Y, Hada S, Neya S
16302 - 16309	Hydrogenation and Dehydrogenation of Propylene on Pt(111) Studied by Sum-Frequency Generation from UHV to Atmospheric-Pressure Cremer PS, Su XC, Shen YR, Somorjai GA
16310 - 16317	Support and Temperature Effects in Platinum Clusters .1. Spatial Structure Boyanov BI, Morrison TI
16318 - 16326	Support and Temperature Effects in Platinum Clusters .2. Electronic-Properties Boyanov BI, Morrison TI
16327 - 16335	Chemical Generation of C-60(2-) and Electron-Transfer Mechanism for the Reactions with Alkyl Bromides Subramanian R, Kadish KM, Vijayashree MN, Gao X, Jones MT, Miller MD, Krause KL, Suenobu T, Fukuzumi S
16336 - 16345	A Al-27 Mqmas and Off-Resonance Nutation NMR Investigation of Mo-P/Gamma-Al2O3 Hydrotreating Catalyst Precursors Kraus H, Prins R, Kentgens AP
16346 - 16355	Impedance Analysis of the Mechanism for Nitromethane Reduction in Aqueous-Solutions - The Influence of pH Prieto F, Navarro I, Rueda M
16356 - 16360	Effect of Plasticization on the Performance of a Photorefractive Polymer Bolink HJ, Krasnikov VV, Malliaras GG, Hadziioannou G
16361 - 16364	Thermoosmosis and Transported Entropy of Water Across Poly(4-Vinylpyridine/Styrene) and Poly(N-Vinyl-2-Methylimidazole/Styrene) Type Membranes in Electrolyte-Solutions Tasaka M, Suzuki T, Kiyono R, Hamada M, Yoshie K
16365 - 16372	Self-Absorption and Focusing Effects in Carrier Relaxation Dynamics Under Depletion Conditions Ramakrishna S, Rangarajan SK
16373 - 16377	Allowed Values of Ratios of the Rotational Diffusion Constants for a Radical with 4 Equivalent I=1/2 Nuclei Kowert BA
16378 - 16384	Protonation of Glycine in Saline Media - Evaluation of the Effect of Ionic-Strength by Use of the Mean Spherical Approximation Vilarino T, Devicente ME
16385 - 16398	Model for Aqueous Solvation Based on Class-IV Atomic Charges and First Solvation Shell Effects Chambers CC, Hawkins GD, Cramer CJ, Truhlar DG
16399 - 16409	Prediction of the Free-Energy of Dilute Aqueous Methane, Ethane, and Propane at Temperatures from 600 to 1200-Degrees-C and Densities from 0 to 1 G cm(-3) Using Molecular-Dynamics Simulations Lin CL, Wood RH
16410 - 16418	Concentration Effects in Aqueous NaCl Solutions - A Molecular-Dynamics Simulation Lyubartsev AP, Laaksonen A
16419 - 16422	A Stochastic-Model for Crankshaft Transitions Moro GJ
16423 - 16428	Ab-Initio Studies of Amide-N-15 Chemical-Shifts in Dipeptides - Applications to Protein NMR-Spectroscopy Le HB, Oldfield E
16429 - 16434	Studies of Gadolinium(III)-Modified Hectorite Clays as Potential Oral MRI Contrast Agents Balkus KJ, Shi JM
16435 - 16440	The Proton Affinity and Absolute Heat of Formation of Trifluoromethanol Chyall LJ, Squires RR
16441 - 16442	Mechanism of the Oscillatory Bromate Oxidation of Sulfite and Ferrocyanide in a CSTR Rabai G, Kaminaga A, Hanazaki I
16443 - 16443	Mechanism of the Oscillatory Bromate Oxidation of Sulfite and Ferrocyanide in a CSTR - Reply Orban M, Dolnik M, Epstein IR
16444 - 16444	Comparison of C-Cl and Si-Cl Bonds - A Valence-Bond Study (Vol 100, Pg 5715, 1996) Lauvergnat D, Hiberty PC, Danovich D, Shaik S
16444 - 16444	Computational Study of the Monoanion and Dianion of SO2, SO3, SO4, S2O3, S2O4, S2O6, and S2O8 (Vol 100, Pg 3480, 1996) Mckee ML
16445 - 16445	Addition Kinetics and Spin-Exchange in the Gas-Phase Reaction of the Ethyl Radical with Oxygen (Vol 100, Pg 6568, 1996) Dilger H, Schwager M, Tregennapiggott PL, Roduner E, Reid ID, Arseneau DJ, Pan JJ, Senba M, Shelley M, Fleming DG
16446 - 16446	Morphology of Microphase Separation in Arachidic Acid Cadmium Arachidate Langmuir-Blodgett Multilayers (Vol 100, Pg 11113, 1996) Kurnaz ML, Schwartz DK