Volume 98; Issue 49

Journal of Physical Chemistry

Volume 98; Issue 49

1

Molecular Dynamics of Supercritical Water Using a Flexible SPC Model

Mizan, Tahmid I., Savage, Phillip E., Ziff, Robert M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.17 MB

english, 1994

2

Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model

Kaminski, George, Duffy, Erin M., Matsui, Tooru, Jorgensen, William L.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 738 KB

english, 1994

3

Successive Binding Energies of Fe(CO)5+

Ricca, Alessandra, Bauschlicher, Charles W. Jr.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 694 KB

english, 1994

4

Study of Acid-Base and Redox Equilibria for the C60/C60H2 System in Dimethyl Sulfoxide Solvent

Niyazymbetov, Murat E., Evans, Dennis H., Lerke, Susan A., Cahill, Paul A., Henderson, Craig C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 670 KB

english, 1994

5

Synthesis and Characterization of a Molybdenum Disulfide Nanocluster

Zhang, Zhi Jun, Zhang, Jun, Xue, Qun Ji

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 836 KB

english, 1994

6

Diffusion Behavior of an Ion in Polyaniline during Doping and Undoping Processes in Acidic Aqueous Solution

Kanamura, Kiyoshi, Kawai, Yasunori, Yonezawa, Susumu, Takehara, Zen-ichiro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 955 KB

english, 1994

7

Photoinduced Bifurcation between Steady and Oscillatory States in the Fe(CN)64--H2O2 Reaction in a Flow Reactor

Mori, Yoshihito, Rabai, Gyula, Hanazaki, Ichiro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1022 KB

english, 1994

8

Structural, Surface, and Catalytic Properties of a New Bimetallic V-Mo Oxynitride Catalyst for Hydrodenitrogenation

Yu, C. Charles, Ramanathan, S., Sherif, Fawzy, Oyama, S. Ted

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 501 KB

english, 1994

9

Density Functional Theory Calculations of the Transition States for Hydrogen Exchange and Dehydrogenation of Methane by a Broensted Zeolitic Proton

Blaszkowski, S. R., Jansen, A. P. J., Nascimento, M. A. C., van Santen, R. A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.91 MB

english, 1994

10

Kinetics of the High-Temperature H2S Decomposition

Woiki, D., Roth, P.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 660 KB

english, 1994

11

Isolation and Characterization of an ESR-Active La@C82 Isomer

Yamamoto, Kazunori, Funasaka, Hideyuki, Takahasi, Takeshi, Akasaka, Takeshi, Suzuki, Toshiyasu, Maruyama, Yusei

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 228 KB

english, 1994

12

Fluorescence Properties of Coumarin Laser Dyes in Aqueous Polymer Media. Chromophore Isolation in Poly(methacrylic acid) Hypercoils

Jones, Guilford, Rahman, Mohammad A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.21 MB

english, 1994

13

Aliphatic Ketone Anion Radicals: A Matrix Isolation ESR Study

Koeppe, Ralf, Kasai, Paul H.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 666 KB

english, 1994

14

Application of Transition-State Theory to Gas-Surface Reactions: Barrierless Adsorption on Clean Surfaces

Pitt, Ian G., Gilbert, Robert G., Ryan, Keith R.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.08 MB

english, 1994

15

Quantum and Molecular Mechanics Study of the Tris(Quaternary Ammonium) Cation Used as the Zeolite ZSM-18 Synthesis Template

Koelmel, C. M., Li, Y. S., Freeman, C. M., Levine, S. M., Hwang, M.-J., Maple, J. R., Newsam, J. M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 884 KB

english, 1994

16

Geometry and Torsional Potential of 2,2'-Bithiophene in a Supersonic Jet

Takayanagi, Masao, Gejo, Tatsuo, Hanazaki, Ichiro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 714 KB

english, 1994

17

Cluster Catalysis: Propane Hydrogenolysis Catalyzed by MgO-Supported Tetrairidium

Kawi, S., Chang, J.-R., Gates, B. C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.75 MB

english, 1994

18

55Mn Electron Spin Echo ENDOR of Mn2+ Complexes

Sturgeon, Bradley E., Ball, James A., Randall, David W., Britt, R. David

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.56 MB

english, 1994

19

Effect of Temperature and Viscosity on Rotational Diffusion of Merocyanine 540 in Polar Solvents

Bessire, David R., Quitevis, Edward L.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

20

Benzofuroxan-o-Dinitrosobenzene Equilibrium. A Computational Study

Friedrichsen, Willy

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 419 KB

english, 1994

21

Solubilization of Benzene, Naphthalene, Anthracene, and Pyrene in Dodecylammonium Trifluoroacetate Micelles

Morisue, Tomo, Moroi, Yoshikiyo, Shibata, Osamu

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 566 KB

english, 1994

22

Nanoclusters Produced in Flames

Duan, H. M., McKinnon, J. T.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.25 MB

english, 1994

23

Structures and Formation of Small LaCn+ Metallofullerenes

Shelimov, Konstantin B., Clemmer, David E., Jarrold, Martin F.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 903 KB

english, 1994

24

Exchange Processes via Electronic Nonadiabatic Transitions: An Accurate Three-Dimensional Quantum Mechanical Study of the F(2P1/2, 2P3/2) + H2 Reactive Systems

Gilibert, Miquel, Baer, Michael

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 200 KB

english, 1994

25

Observed and calculated Raman spectra of the Ga2H6 and Ga2D6 molecules

Souter, Philip F., Andrews, Lester, Downs, Anthony J., Greene, Tim M., Ma, Buyong, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 378 KB

english, 1994

26

Matrix Isolation Studies of the Interactions of Cu Atoms with NO

Chiarelli, Joseph, Ball, David W.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 312 KB

english, 1994

27

1La-1Lb Coupling in the Excited State of 3-Methylindole and Its Polar Clusters

Demmer, David R., Leach, Garry W., Wallace, Stephen C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.85 MB

english, 1994

28

Aggregation-Induced Reabsorption of p-Terphenyl in Langmuir-Blodgett Films: A Spectral Study

Dutta, A. K., Misra, T. N., Pal, A. J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 951 KB

english, 1994

29

Multiple-Pulse COSY NMR Spectroscopy of Oriented Molecules in Thermotropic Cholesteric

Lesot, P., Nielsen, F., Ouvrard, J. M., Courtieu, J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.05 MB

english, 1994

30

Vibrationally coupled dioxygen in dioxygen adducts of cobalt porphyrin complexes with pyridine. Mode specific variations in coupling strengths

Proniewicz, Leonard M., Golus, Janusz, Majcherczyk, Halina, Bajdor, Krzysztof, Kincaid, James R.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 603 KB

english, 1994

31

Four-Pulse Electron Spin Echo Envelope Modulation Studies of Axial Water Ligation to Diaquatetracyanonickelate(III)

Lee, Hong-In, McCracken, John

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 939 KB

english, 1994

32

Resonance Raman Spectra of the Anion and Cation Radicals of Bacterial Photosynthetic Pigments

Diers, James R., Bocian, David F.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.04 MB

english, 1994

33

Ab Initio calculations on Formamidine-X+ (X = H, Li, Na, Mg, and Al) Complexes

Tortajada, J., Leon, E., Luna, A., Mo, O., Yanez, M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 942 KB

english, 1994

34

Theoretical Study of the Valence Isomerization of Anthracene and 9-tert-Butylanthracene to Their Dewar Forms in the Ground and Excited States

Grimme, S., Peyerimhoff, S. D.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 743 KB

english, 1994

35

Structure of trans-Rh(PH3)2(CO)X (X = F, Cl) Using Hartree-Fock/MBPT(2) and Density Functional Theory

Salter, Edward A., Wierzbicki, Andrzej, Seminario, Jorge M., Hoffman, Norris W., Easterling, Michael L., Madura, Jeffry D.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 532 KB

english, 1994

36

Understanding the Electronic Properties of Glycosylated Chromophores Using AM1 Semiempirical Calculations

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

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1020 KB

english, 1994

37

UV Absorption Study of the Thermal Decomposition Reaction H2S .fwdarw. H2 + S(3P)

Olschewski, H. A., Troe, J., Wagner, H. Gg.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 428 KB

english, 1994

38

Studies of Gd(III)-Exchanged Y-Type Zeolites Relevant to Magnetic Resonance Imaging

Bresinska, Iwona, Balkus, Kenneth J. Jr.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 732 KB

english, 1994

39

Electron Spin Resonance Study of Ni(I) Stabilized in Nickel-Substituted and Nickel Ion-Exchanged Synthetic Hydroxyhectorites

Yamada, Hirohisa, Azuma, Naoto, Kevan, Larry

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 545 KB

english, 1994

40

Adsorption and Reactions of Benzenethiol on the Ni(111) Surface

Rufael, T. S., Huntley, D. R., Mullins, D. R., Gland, J. L.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 780 KB

english, 1994

41

Molecular Orientation and Surface Morphology in Methyl Iodide Films Grown on MgO(100) Probed by Photodissociation

Fairbrother, D. Howard, Briggman, K. A., Stair, P. C., Weitz, Eric

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1011 KB

english, 1994

42

Reference Interaction Site Model Approach to the Equation of State for Lennard-Jones Polyatomic Fluids

Kawaizumi, Fumio, Nomura, Hiroyasu, Ohba, Masaharu

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 380 KB

english, 1994

43

Isothermal Diffusion Coefficients for NaCl-MgCl2-H2O. 6. Concentration Ratios 3:1, 1:1, and 1:3 near Saturation at 35.degree.C

Wu, Jingquan, Albright, John G., Miller, Donald G.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 550 KB

english, 1994

44

An Examination of the Role B2O3 Lewis Acid Sites in Electron Transport on Porous Vycor Glass

Fan, Jianwei, Gafney, Harry D.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 729 KB

english, 1994

45

High-Pressure 13C NMR of C60 in the Solid State

Walton, Jeffrey H., Gullion, T.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 331 KB

english, 1994

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