Volume 100; Issue 28

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Journal of Physical Chemistry
Volume 100; Issue 28

Journal of Physical Chemistry

Volume 100; Issue 28

1

A Cubic Monoolein−Cytochrome c−Water Phase: X-ray Diffraction, FT-IR, Differential Scanning Calorimetric, and Electrochemical Studies

Razumas, Valdemaras, Larsson, Kåre, Miezis, Yvonne, Nylander, Tommy

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 476 KB

english, 1996

2

Role of Spacer Chain Length in Dimeric Micellar Organization. Small Angle Neutron Scattering and Fluorescence Studies

De, Soma, Aswal, Vinod K., Goyal, Prem S., Bhattacharya, Santanu

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 379 KB

english, 1996

3

Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water

Taylor, Ramona S., Dang, Liem X., Garrett, Bruce C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 489 KB

english, 1996

4

Electroacoustic Study of Adsorption of Ions on Anatase and Zirconia from Very Concentrated Electrolytes

Kosmulski, Marek, Rosenholm, Jarl B.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 381 KB

english, 1996

5

Effect of Substrate Hydrophobicity on Surfactant Surface−Aggregate Geometry

Ducker, William A., Grant, Lachlan M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 439 KB

english, 1996

6

New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects

Marten, Bryan, Kim, Kyungsun, Cortis, Christian, Friesner, Richard A., Murphy, Robert B., Ringnalda, Murco N., Sitkoff, Doree, Honig, Barry

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 477 KB

english, 1996

7

Bond-Distorted Orbitals and Effects of Hybridization and Resonance on C−C Bond Lengths

Mo, Yirong, Lin, Zhenyang, Wu, Wei, Zhang, Qianer

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 263 KB

english, 1996

8

Formic Acetic Anhydride in the Gas Phase, Studied by Electron Diffraction and Infrared Spectroscopy, Supplemented with ab-Initio Calculations of Geometries and Force Fields

Wu, G., Shlykov, S., Van Alsenoy, C., Geise, H. J., Sluyts, E., Van der Veken, B. J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 511 KB

english, 1996

9

Specific Adsorption of a Bisulfate Anion on a Pt(111) Electrode. Ultrahigh Vacuum Spectroscopic and Cyclic Voltammetric Study

Thomas, S., Sung, Y.-E., Kim, H. S., Wieckowski, A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 773 KB

english, 1996

10

FT-IR and Quantum Chemical Studies of the Interaction between Dimethyl Ether and HZSM-5 Zeolite

Fujino, T., Kashitani, M., Kondo, J. N., Domen, K., Hirose, C., Ishida, M., Goto, F., Wakabayashi, F.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 384 KB

english, 1996

11

Poly(oxyethylene)-Substituted Copper and Lutetium Phthalocyanines

Toupance, Thierry, Bassoul, Pierre, Mineau, Ludovic, Simon, Jacques

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 450 KB

english, 1996

12

Methanol Adsorption in ZeolitesA First-Principles Study

Shah, Rajiv, Gale, Julian D., Payne, Michael C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 855 KB

english, 1996

13

Kinetic Model for the Sonochemical Degradation of Monocyclic Aromatic Compounds in Aqueous Solution

De Visscher, Alex, Van Eenoo, Peter, Drijvers, David, Van Langenhove, Herman

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 286 KB

english, 1996

14

Mechanisms of Deposition of Species Containing Catalytically Active Ions on the Oxidic Support/Electrolytic Solution Interfaces: A Unified Approach Based on the Two-p k /One-Site and Triple-Layer Models

Bourikas, K., Matralis, H. K., Kordulis, Ch., Lycourghiotis, A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 353 KB

english, 1996

15

Calculation of Proton Affinities Using Density Functional Procedures: A Critical Study

Chandra, A. K., Goursot, Annick

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 198 KB

english, 1996

16

Excimer/Exciplex Formation in van der Waals Dimers of Aromatic Molecules

Yip, W. T., Levy, Donald H.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 313 KB

english, 1996

17

Interfacing Electronic Structure Theory with Dynamics

Gordon, Mark S., Chaban, Galina, Taketsugu, Tetsuya

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 2.11 MB

english, 1996

18

Water Dissociation on Pt(111) and (100) Anodes: Molecular Orbital Theory

Seong, Seeyearl, Anderson, Alfred B.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 333 KB

english, 1996

19

Application of the Hydrated Ion Concept for Modeling Aqueous Solutions Containing Highly Charged Ions: A Monte Carlo Simulation of Cr 3+ in Water Using an ab Initio Intermolecular Potential †

Pappalardo, Rafael R., Martínez, José M., Marcos, Enrique Sánchez

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 426 KB

english, 1996

20

Molecular Orbital Study of the Reaction Mechanism of Sc + with Methane. Comparison of the Reactivity of Early and Late First-Row Transition Metal Cations and Their Carbene Complexes

Musaev, Djamaladdin G., Morokuma, Keiji

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 520 KB

english, 1996

21

Raman and Infrared Structural Investigation of x Rb 2 O·(1 − x) GeO 2 Glasses

Kamitsos, E. I., Yiannopoulos, Y. D., Karakassides, M. A., Chryssikos, G. D., Jain, H.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 440 KB

english, 1996

22

Theoretical Studies of Growth of Diamond (110) from Dicarbon †

Redfern, Paul C., Horner, David A., Curtiss, Larry A., Gruen, Dieter M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 702 KB

english, 1996

23

Matrix Infrared Spectra and ab Initio Calculations of the Nitrous Acid Complexes with N 2 and CO

Mielke, Zofia, Latajka, Zdzisław, Kołodziej, Joanna, Tokhadze, Konstantin G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 338 KB

english, 1996

24

Atomic Force Microscopy Studies of Surface Morphology and Growth Kinetics in Thaumatin Crystallization

Malkin, A. J., Kuznetsov, Yu. G., Glantz, W., McPherson, A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 660 KB

english, 1996

25

XAFS Studies of Solution-Phase Complexes of Cesium with Dibenzo-18-crown-6 Ethers

Kemner, K. M., Hunter, D. B., Elam, W. T., Bertsch, P. M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 562 KB

english, 1996

26

Ab Initio Molecular Orbital Calculations on Low-Energy Conformers of N -Acetyl- N ‘-methylprolineamide

Kang, Young Kee

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 363 KB

english, 1996

27

Kinetic Analysis of a Double Photoisomerization of the DTDCI Cyanine Dye

Vaveliuk, Pablo, Scaffardi, Lucía B., Duchowicz, Ricardo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 450 KB

english, 1996

28

Effect of Dimers on the Temperature-Dependent Absorption Cross Section of Methyl Iodide

Waschewsky, Gabriela C. G., Horansky, Robert, Vaida, Veronica

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 418 KB

english, 1996

29

Frequency Dependent Chemical Patterns in Nonuniform Active Media

Oosawa, Chikoo, Kometani, Kaoru

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 373 KB

english, 1996

30

A Time Resolved Spectroscopic Study of Solution Phase Ionic Association and Dissociation

Rasimas, J. P., Blanchard, G. J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 392 KB

english, 1996

31

An ab Initio Study of Ne n N 2+ Clusters (1 < n < 3)

Sapse, Anne-Marie, Jain, Duli C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 192 KB

english, 1996

32

Optical Absorption Properties of Silver Atoms in γ-Irradiated Aqueous, 2-Methyltetrahydrofuran, and Ethanol Solutions at Low Temperatures

Hase, Hirotomo, Arai, Shigeyoshi, Isomura, Akihiro, Terazawa, Norihisa, Miyatake, Yoko, Hoshino, Mikio

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 339 KB

english, 1996

33

Connection between Simple Models and Quantum Chemical Models for Electron-Transfer Tunneling Matrix Element Calculations: A Dyson's Equations-Based Approach

Balabin, Ilya A., Onuchic, José Nelson

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 552 KB

english, 1996

34

Thermotropic Structural Change of Disialoganglioside Micelles Studied by Using Synchrotron Radiation Small-Angle X-ray Scattering

Hirai, Mitsuhiro, Takizawa, Toshiharu, Yabuki, Sadato, Hirai, Toshihiro, Hayashi, Kouhei

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 295 KB

english, 1996

35

Linear and Circular Dichroism Spectroscopic Study of β,β‘-Dimethylmesobilirubin-XIIIα Oriented in a Nematic Liquid Crystal

Bauman, Danuta, Killet, Claudia, Boiadjiev, Stefan E., Lightner, David A., Schönhofer, Alfred, Kuball, Hans-Georg

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 678 KB

english, 1996

36

Existence of Two Distinct Isomeric Forms of Me(OH)SiCH 2 . A Theoretical Confirmation

Venkatraman, Ramaiyer, Nowek, Andrzej, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 201 KB

english, 1996

37

Variation in Intermolecular Spacing with Dipping Pressure for Arachidic Acid LB Films

Evenson, S. A., Badyal, J. P. S., Pearson, C., Petty, M. C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 310 KB

english, 1996

38

Structural Trends in the Monocyanides of the Second-Row Metal Ions Na + , Mg m + ( m = 1, 2), and Al n + ( n = 1−3)

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 272 KB

english, 1996