Journal of Physical Chemistry

Journal of Physical Chemistry, Vol.100, No.26 Entire volume, number list

ISSN: 0022-3654 (Print)

In this Issue (54 articles)

10827 - 10830	Local, Gradient-Corrected, and Hybrid Density-Functional Calculations on Pd-N Clusters for N=1-6 Valerio G, Toulhoat H
10831 - 10833	Quick-Scanning EXAFS in the Reflection Mode as a Probe for Structural Information of Electrode Surfaces with Time Resolution - An in-Situ Study of Anodic Silver-Oxide Formation Hecht D, Frahm R, Strehblow HH
10834 - 10836	Atom Monopole-Dipole Interaction-Model with Limited Delocalization Length for Polarizabilities of Polyenes Shanker B, Applequist J
10837 - 10848	Quantitative Equilibrium-Constants Between CO2 and Lewis-Bases from FTIR Spectroscopy Meredith JC, Johnston KP, Seminario JM, Kazarian SG, Eckert CA
10849 - 10853	New Assignments in the 600Nm Region of C-60 - The Origins of the T-1G and G(G) Transitions Negri F, Orlandi G, Zerbetto F
10854 - 10860	Fine-Structures of H-1-Coupled C-13 MAS NMR-Spectra for Uniaxially Rotating Molecules in Deuterated Surroundings - Conformations of N-Alkane Molecules Enclathrated in Urea Channels Kubo A, Imashiro F, Terao T
10861 - 10868	9-Substituted Triptycene as a Probe for the Study of Internal-Rotation Around a C-pH Bond in the Solid-State - A Single-Crystal EPR Study at Variable-Temperature Ramakrishnan G, Jouaiti A, Geoffroy M, Bernardinelli G
10869 - 10874	Ab-Initio Study of the Low-Lying Electronic States of Indene Zilberg S, Kendler S, Haas Y
10875 - 10881	Ab-Initio Study of Nonadditive Effects in the (H2O)(2)Center-Dot-Center-Dot-Center-Dot-H-2 Cluster Sadlej J, Cybulski SM, Szczesniak MM
10882 - 10891	Theoretical-Study of Cf3So3Li, (Cf3So2)(2)Nli, and (Cf3So2)(2)Chli Ion-Pairs Arnaud R, Benrabah D, Sanchez JY
10892 - 10911	Identifying and Analyzing Intermolecular Bonding Interactions in Van-der-Waals Molecules Bone RG, Bader RF
10912 - 10918	Through-Bond and Through-Space Coupling in Photoinduced Electron and Energy-Transfer - An Ab-Initio and Semiempirical Study Clayton AH, Scholes GD, Ghiggino KP, Paddonrow MN
10919 - 10927	Ab-Initio Studies of Silicon and Nitrogen Clusters - Cyclic or Linear Si2N Ornellas FR, Iwata S
10928 - 10935	Amidine N-C(N)-N Skeleton - Its Structure in Isolated and Hydrogen-Bonded Guanidines from Ab-Initio Calculations Caminiti R, Pieretti A, Bencivenni L, Ramondo F, Sanna N
10936 - 10944	Analytical 2nd Derivatives for Effective Core Potential - Application to Transition Structures of CP(2)Ru(2)(Mu-H)(4) and to the Mechanism of Reaction Cu+ch(2)N(2) Cui Q, Musaev DG, Svensson M, Morokuma K
10945 - 10951	Ab-Initio Calculations of the Transition-State Energy and Position for the Reaction H+c(2)H(5)R-)Hh+c(2)H(4)R, with R=h, CH3, NH2, CN, CF3, C5H6 - Comparison to Marcus Theory, Millers Theory, and Bockris Model Lee WT, Masel RI
10952 - 10955	Computational Study of the Thermochemistry of C5H5+ Isomers - Which C5H5+ Isomer Is the Most Stable Glukhovtsev MN, Bach RD, Laiter S
10956 - 10966	Kinetic Analyses Combining Quantum-Chemical and Quantum-Statistical Methods - Some Case-Studies Nguyen MT, Sengupta D, Vanquickenborne LG
10967 - 10980	Mechanism of Atmospheric Photooxidation of Aromatics - A Theoretical-Study Andino JM, Smith JN, Flagan RC, Goddard WA, Seinfeld JH
10981 - 10988	Pseudophase Approach to Reactivity in Microemulsions - Quantitative Explanation of the Kinetics of the Nitrosation of Amines by Alkyl Nitrites in AOT/Isooctane/Water Microemulsions Garciario L, Leis JR, Mejuto JC
10989 - 10998	Kinetics and Mechanism of the Reaction of F Atoms with Ch3Br Sehested J, Bilde M, Mogelberg T, Wallington TJ, Nielsen OJ
10999 - 11004	Singlet Excitation Transfer in Columnar Liquid-Crystals Studied by Monte-Carlo Simulations Sigal H, Markovitsi D, Gallos LK, Argyrakis P
11005 - 11008	Nonequilibrium Flow-Dependent Corrections to Chemical Rate Constants in Gases Nettleton RE
11009 - 11013	Study on the Chemical-Reaction of Spiropyran in Medium-Density and High-Density Fluids Kimura Y, Takebayashi Y, Hirota N
11014 - 11018	Mechanism of Organosilane Self-Assembled Monolayer Formation on Silica Studied by 2nd-Harmonic Generation Zhao XL, Kopelman R
11019 - 11028	Chemical and Physical Aspects of Macroemulsions Stabilized by Interfacial Colloids Zhai X, Efrima S
11029 - 11032	Electronic-Structure of Push-Pull Molecules Based on Thiophene Oligomers Bolivarmarinez LE, Dossantos MC, Galvao DS
11033 - 11042	Characterization of Starburst Dendrimers by EPR .4. Mn(II) as a Probe of Interphase Properties Ottaviani MF, Montalti F, Romanelli M, Turro NJ, Tomalia DA
11043 - 11049	Potential Functions for Silica and Zeolite Catalysts Based on Ab-Initio Calculations .3. A Shell-Model Ion-Pair Potential for Silica and Aluminosilicates Schroder KP, Sauer J
11050 - 11053	Symmetry-Broken HF Solutions for Graphite Surfaces Wagner FR, Lepetit MB
11054 - 11061	Dye-Capped Semiconductor Nanoclusters - Excited-State and Photosensitization Aspects of Rhodamine 6G H-Aggregates Bound to SiO2 and SnO2 Colloids Nasr C, Liu D, Hotchandani S, Kamat PV
11062 - 11066	Mechanistic Study of the Calcination of Supported Chromium(III) Precursors for Ethene Polymerization Catalysts Ruddick VJ, Dyer PW, Bell G, Gibson VC, Badyal JP
11067 - 11071	Adsorption Properties of Cryptand-222 at the Charged Mercury-Solution Interface Carla M, Gambi CM, Baglioni P
11072 - 11079	Spectroscopic Characterization of Hydroxyl-Groups in SAPO-40 .1. Study of the Template-Free Samples and Their Interaction with Ammonia Onida B, Gabelica Z, Lourenco J, Garrone E
11080 - 11085	Nonlinear Polarizabilities of Donor-Acceptor-Substituted Conjugated Polyenes Chen GH, Mukamel S
11086 - 11091	Scanning Probe Lithography .3. Nanometer-Scale Electrochemical Patterning of Au and Organic Resists in the Absence of Intentionally Added Solvents or Electrolytes Schoer JK, Zamborini FP, Crooks RM
11092 - 11097	Motion of Polymer Gels by Spreading Organic Fluid on Water Gong JP, Matsumoto S, Uchida M, Isogai N, Osada Y
11098 - 11100	Activity Analysis of Electrochemical Water Oxidation Catalyst Confined in a Coated-Polymer Membrane Yagi M, Kinoshita K, Kaneko M
11101 - 11112	Mobility of Aromatic-Molecules in Zeolite NaY by Molecular-Dynamics Simulation Klein H, Fuess H, Schrimpf G
11113 - 11119	Morphology of Microphase Separation in Arachidic Acid/Cadmium Arachidate Langmuir-Blodgett Multilayers Kurnaz ML, Schwartz DK
11120 - 11121	Electronic-Structure of Ce-at-C-82 - An Experimental-Study Ding JQ, Weng LT, Yang SH
11122 - 11124	The Band-Structure of Diamond Calzaferri G, Rytz R
11125 - 11132	Fluorescence Analysis of Single and Mixed Micelle Systems of SDS and Dtab Karukstis KK, Suljak SW, Waller PJ, Whiles JA, Thompson EH
11133 - 11138	Characterization of the Microenvironments in AOT Reverse Micelles Using Multidimensional Spectral-Analysis Karukstis KK, Frazier AA, Martula DS, Whiles JA
11139 - 11143	Observation of Nematic Liquid-Crystal Textures in Aqueous Gels of Smectite Clays Gabriel JC, Sanchez C, Davidson P
11144 - 11147	A Thermal Engine Driven by a Thermokinetic Oscillator Delgado EJ
11148 - 11164	Analysis of Coupling Schemes in Free-Energy Simulations - A Unified Description of Nonbonded Contributions to Solvation Free-Energies Dejaegere A, Karplus M
11165 - 11174	A Continuum Solvation Model Including Electrostriction - Application to the Anisole Hydrolysis Reaction in Supercritical Water Luo HQ, Tucker SC
11175 - 11183	2nd-Order Surface Phase-Transitions in Electrode-Kinetics Kornyshev AA, Kuznetsov AM, Stimming U, Ulstrup J
11184 - 11192	Rate-Processes in Interfacial Systems Near Continuous-Phase Transitions Kornyshev AA, Kuznetsov AM, Stimming U, Ulstrup J
11193 - 11197	Mossbauer and Fluorescence Spectroscopic Study on the Local Environment Around Trivalent Europium Ion in the Chlorofluorozirconate Glass System Takahashi M, Kanno R, Kawamoto Y
11198 - 11201	Selective Measurement of Chemical-Exchange Rates by Synchronous Nutation in Nuclear-Magnetic-Resonance Spectroscopy Zangger K, Sterk H
11202 - 11202	Testing the Validity of Scaling the Quantum-Mechanical Molecular-Force Fields for Rotational Isomers (Vol 99, Pg 17548, 1995) Panchenko YN, Demare GR, Pupyshev VI
11202 - 11202	Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates .1. Transformation Properties and Hamiltonian for Triatomic Systems (Vol 100, Pg 2635, 1996) Kuppermann A