The Journal of Physical Chemistry B: Volume 98, Issue 43 (ACS Publications)

Defect-Enhanced Structural Relaxation Mechanism for the Evolution of Hot Spots in Rapidly Compressed Crystals

D. H. Tsai, R. W. Armstrong

pp 10997–11000

Publication Date: October 1994 ()

DOI: 10.1021/j100094a001

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Permselectivity of Voltage-Gated Alamethicin Ion Channel Studied by Microamperometry

Tomokazu Matsue, Hitoshi Shiku, Hiroshi Yamada, Isamu Uchida

pp 11001–11003

Publication Date: October 1994 ()

DOI: 10.1021/j100094a002

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Ab Initio Hartree-Fock and Local Density Functional Calculations on Prototype Halogenated Porphyrins. Do Electrochemically Measured Substituent Effects Reflect Gas-Phase Trends?

Abhik Ghosh

pp 11004–11006

Publication Date: October 1994 ()

DOI: 10.1021/j100094a003

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A Model for Oscillating Hydrogen Liberation at CuInSe2 in the Presence of H2O2

Ludwig Pohlmann, Guenther Neher, Helmut Tributsch

pp 11007–11010

Publication Date: October 1994 ()

DOI: 10.1021/j100094a004

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Hydrogen Adsorption on Platinum Particles Studied by 195Pt NMR

Y. Y. Tong, J. J. van der Klink

pp 11011–11014

Publication Date: October 1994 ()

DOI: 10.1021/j100094a005

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Large-Dimension Limit Yields Generic Reduced Potential Curves for H2+, H2, HHe+, and He22+

S. Kais, T. C. Germann, D. R. Herschbach

pp 11015–11017

Publication Date: October 1994 ()

DOI: 10.1021/j100094a006

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Octahedral C48 and Uniform Strain

Brett I. Dunlap, Roger Taylor

pp 11018–11019

Publication Date: October 1994 ()

DOI: 10.1021/j100094a007

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Ultrafast Nonlinear Optical Studies of Surface Reaction Dynamics: Mapping the Electron Trajectory

J. M. Lanzafame, S. Palese, D. Wang, R. J. D. Miller, A. A. Muenter

pp 11020–11033

Publication Date: October 1994 ()

DOI: 10.1021/j100094a008

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A Molecular Dynamics Study of the Benzene.cntdot..cntdot..cntdot.Arn (n = 3-5) Complex Using the ab Initio Intermolecular Potential

Jaroslav Vacek, Pavel Hobza

pp 11034–11039

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a009

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Intramolecular Competition of Phenylic and Benzylic CX Bond Breaking in Dissociative Electron Attachment to Dihalotoluenes

Christophe Bulliard, Michael Allan, Edwin Haselbach

pp 11040–11045

Publication Date: October 1994 ()

DOI: 10.1021/j100094a010

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Molecular Structure and Conformation of tert-Butylbenzene: A Concerted Study by Gas-Phase Electron Diffraction and Theoretical Calculations

Anna Rita Campanelli, Fabio Ramondo, Aldo Domenicano, Istvan Hargittai

pp 11046–11052

Publication Date: October 1994 ()

DOI: 10.1021/j100094a011

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Long-Range Interactions in a Series of Rigid Nonconjugated Polynorbornyl Dienes. 2. Role of Electron Correlation in Determining the Distance Dependence of the .pi.+,.pi.- and .pi.+,.pi.- Splittings

Kyungsun Kim, Kenneth D. Jordan, Michael N. Paddon-Row

pp 11053–11058

Publication Date: October 1994 ()

DOI: 10.1021/j100094a012

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Incorporating Solvation Effects into Density Functional Electronic Structure Calculations

Jun L. Chen, Louis Noodleman, David A. Case, Donald Bashford

pp 11059–11068

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a013

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A theoretical treatment of the radiative decay of the (a3.PI., v, N, Fi, e/f) levels of BH

Lisa A. Pederson, Hinne Hettema, David R. Yarkony

pp 11069–11074

Publication Date: October 1994 ()

DOI: 10.1021/j100094a014

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Solvent Effects on Molecular and Ionic Spectra. 4. Photochemistry of Fe2+(H2O)6 in Water Revisited: Possible Mechanisms for the Primary Absorption Process Leading to Electron Ejection

J. Zeng, J. S. Craw, N. S. Hush, J. R. Reimers

pp 11075–11088

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a015

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Photoinduced Isomerization of Alkyl Radicals Trapped in Solid Alkanes

Hitoshi Koizumi, Shin Kosugi, Hiroshi Yoshida

pp 11089–11093

Publication Date: October 1994 ()

DOI: 10.1021/j100094a016

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Pulse Radiolysis Study of One-Electron Reduction Reaction of Fluoranil in Aqueous Solution

Lian C. Shoute, Jai P. Mittal

pp 11094–11098

Publication Date: October 1994 ()

DOI: 10.1021/j100094a017

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Experimental and Theoretical Study of the sec-C4H9 .dblarw. CH3 + C3H6 Reaction

Vadim D. Knyazev, Ilia A. Dubinsky, Irene R. Slagle, David Gutman

pp 11099–11108

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a018

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Aqueous Medium Pulse and Steady State Radiation Chemical Studies on the Reduction of 3,5-Diiodotyrosine

T. N. Das

pp 11109–11114

Publication Date: October 1994 ()

DOI: 10.1021/j100094a019

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Volume Phase Transition of Thermosensitive Polymer Gels and Mechanism for Miscibility

Seiji Katayama, Yukio Akahori

pp 11115–11118

Publication Date: October 1994 ()

DOI: 10.1021/j100094a020

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Enhanced Absorption within a Cavity. A Study of Thin Dye Layers with the Surface Forces Apparatus

C. Mueller, P. Maechtle, C. A. Helm

pp 11119–11125

Publication Date: October 1994 ()

DOI: 10.1021/j100094a021

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Light Scattering Study of the Effects of 1-Pentanol on Solutions of Sodium Dodecyl Sulfate in NaCl-H2O Solutions

Shanna M. Stephany, Thomas M. Kole, Michael R. Fisch

pp 11126–11128

Publication Date: October 1994 ()

DOI: 10.1021/j100094a022

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Permeability and Partitioning of Ferrocene Ethylene Oxide and Propylene Oxide Oligomers into Electropolymerized Films from Acetonitrile and Polyether Solutions

Radha Pyati, Royce W. Murray

pp 11129–11135

Publication Date: October 1994 ()

DOI: 10.1021/j100094a023

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A New Mechanism for Surface Diffusion: Motion of a Substrate-Adsorbate Complex

S. J. Stranick, A. N. Parikh, D. L. Allara, P. S. Weiss

pp 11136–11142

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a024

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Micellar Behavior of Distearyldimethylammonium Hydroxide and Chloride in Aqueous Solutions

Shaun F. Clancy, Philip H. Steiger, David A. Tanner, Michael Thies, H. Henrich Paradies

pp 11143–11162

Publication Date: October 1994 ()

DOI: 10.1021/j100094a025

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Microstructural and Spectroscopic Studies of Metal Liquidlike Films of Silver and Gold

Ala H. R. Al-Obaidi, Stephanie J. Rigby, John J. McGarvey, D. George Walmsley, Ken W. Smith, Louis Hellemans, Johann Snauwaert

pp 11163–11168

Publication Date: October 1994 ()

DOI: 10.1021/j100094a026

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SERS Investigation of the Adsorption and Decomposition of Tetramethylammonium Ions on Silver Electrode Surfaces in Aqueous Media

Zhongyi Deng, Donald E. Irish

pp 11169–11177

Publication Date: October 1994 ()

DOI: 10.1021/j100094a027

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Thermochemistry of BHmCln Calculated at the G-2 Level of Theory

H. Bernhard Schlegel, Stephen J. Harris

pp 11178–11180

Publication Date: October 1994 ()

DOI: 10.1021/j100094a028

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Liquid-Vapor Equilibria of Polar Fluids from a van der Waals-like Theory

Carlos Vega, Santiago Lago, Benito Garzon

pp 11181–11192

Publication Date: October 1994 ()

DOI: 10.1021/j100094a029

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Solvation Thermodynamics of Simple Crown Ethers by the XRISM Method

Yuk Lung Ha, Arup K. Chakraborty

pp 11193–11203

Publication Date: October 1994 ()

DOI: 10.1021/j100094a030

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Parametric and Molecular Structural Relationships of Dipeptides

Barbara A. Reisner, Brian Fitzsimmons, Herschel Rabitz, Tom Thacher, Jodi R. E. Fisher, Chung Wong

pp 11204–11212

Publication Date: October 1994 ()

DOI: 10.1021/j100094a031

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Vibrational Dynamics of Carbon Monoxide at the Active Site of Myoglobin: Picosecond Infrared Free-Electron Laser Pump-Probe Experiments

Jeffrey R. Hill, A. Tokmakoff, Kristen A. Peterson, B. Sauter, D. Zimdars, Dana D. Dlott, M. D. Fayer

pp 11213–11219

Publication Date: October 1994 (Article)

DOI: 10.1021/j100094a032

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Rates of Primary Electron Transfer Reactions in the Photosystem I Reaction Center Reconstituted with Different Quinones as the Secondary Acceptor

Shigeichi Kumazaki, Masayo Iwaki, Isamu Ikegami, Hideki Kandori, Keitaro Yoshihara, Shigeru Itoh

pp 11220–11225

Publication Date: October 1994 ()

DOI: 10.1021/j100094a033

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Comment on "Time-Dependent Theoretical Treatment of Intervalence Absorption Spectra. Exact Calculations in a One-Dimensional Model"

Paul N. Schatz, Susan B. Piepho

pp 11226–11229

Publication Date: October 1994 ()

DOI: 10.1021/j100094a034

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Comment on the Calculation of Absorption Line Shapes for Mixed-Valence Dimers

Mary Jo Ondrechen, Alessandro Ferretti, Alessandro Lami, Giovanni Villani

pp 11230–11232

Publication Date: October 1994 ()

DOI: 10.1021/j100094a035

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Reply to the Comments on "Time-Dependent Theoretical Treatment of Intervalence Absorption Spectra. Exact Calculations in a One-Dimensional Model"

David S. Talaga, Christian Reber, Jeffrey I. Zink

pp 11233–11235

Publication Date: October 1994 ()

DOI: 10.1021/j100094a036

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Comment on "In-Situ X-ray Studies of the Underpotential Deposition of Copper on Platinum(111)"

L. B. Lurio, T. M. Hayes

p 11236

Publication Date: October 1994 ()

DOI: 10.1021/j100094a037

First Page

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