Volume 98; Issue 35

Journal of Physical Chemistry

Volume 98; Issue 35

1

Spectroscopic Properties of Isolated Sc3@C82 Metallofullerene

Shinohara, Hisanori, Inakuma, Masayasu, Hayashi, Naohiro, Sato, Hiroyasu, Saito, Yahachi, Kato, Tatsuhisa, Bandow, Shunji

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 341 KB

english, 1994

2

Internal Rotation of 1-Aryl-3,3-dialkyltriazenes. Comparison of Semiempirical Molecular Orbital Calculations with Far Infrared, Raman, and NMR Spectroscopic Results

Panitz, J.-C., Lippert, T., Wokaun, A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.39 MB

english, 1994

3

A Quantum Mechanical Investigation of Silsesquioxane Cages

Earley, Clarke W.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.39 MB

english, 1994

4

Oxirene: To Be or Not To Be?

Vacek, George, Galbraith, John Morrison, Yamaguchi, Yukio, Schaefer, Henry F., Nobes, Ross H., Scott, Anthony P., Radom, Leo

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 699 KB

english, 1994

5

Density Functional Calculations of Isotropic Hyperfine Coupling Constants in .beta.-Ketoenolyl Radicals

Adamo, Carlo, Barone, Vincenzo, Fortunelli, Alessandro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 565 KB

english, 1994

6

High-Resolution Solid-State 13C and 15N NMR Spectroscopy of Pyrazole and 3,5-Dimethylpyrazole Adsorbed on Alumina and Silica

Aguilar-Parrilla, Francisco, Claramunt, Rosa M., Lopez, Concepcion, Sanz, Dionisia, Limbach, Hans-Heinrich, Elguero, Jose

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.06 MB

english, 1994

7

Third-Order Nonlinear Optical Properties of Soluble Octasubstituted Metallophthalocyanines

Diaz-Garcia, Maria A., Ledoux, Isabelle, Duro, Jose A., Torres, Tomas, Agullo-Lopez, Fernando, Zyss, Joseph

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 481 KB

english, 1994

8

Ground- and Excited-State Tautomerism in 2-(3'-Hydroxy-2'-pyridyl)benzimidazole

Rodriguez Prieto, Flor, Rios Rodriguez, M. Carmen, Mosquera Gonzalez, M., Rios Fernandez, Miguel A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.27 MB

english, 1994

9

Investigation of the Ligand Exchange Reaction for the Aqueous Be2+ Ion

Lee, M. A., Winter, N. W., Casey, W. H.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

10

Fast Photorefractive effect in PVK:C60:DEANST Polymer Composite

Orczyk, Maciek E., Zieba, Jaroslaw, Prasad, Paras N.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 743 KB

english, 1994

11

Site Segregation in Model Clusters of Small Bimetallic RuGe and RuSn Aggregates

Goursot, Annick, Pedocchi, Luca, Coq, Bernard

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 677 KB

english, 1994

12

Spectroscopic Study of the Interaction of Catechin with .alpha.-, .beta.-, and .gamma.-Cyclodextrins

Smith, Vonda K., Ndou, Thilivhali T., Warner, Isiah M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 537 KB

english, 1994

13

How Unequivocally Do Ion Chromatography Experiments Determine Carbon Cluster Geometries?

Strout, Douglas L., Book, Lewis D., Millam, John M., Xu, Chunhui, Scuseria, Gustavo E.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 535 KB

english, 1994

14

Calculations on the Electronic Structure and Nonlinear Second-Order Optical Susceptibility of the C60/Aniline Charge-Transfer Complex

Li, Jun, Feng, Jikang, Sun, Chiachung

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 509 KB

english, 1994

15

Reactions of N2O5 with Protonated Water Clusters H+(H2O)n, n = 3-30

Wincel, H., Mereand, E., Castleman, A. W. Jr.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 577 KB

english, 1994

16

Angle-Dependent X-ray Photoelectron Spectroscopy and Atomic Force Microscopy of Sulfur-Modified DNA on Au(111)

Leavitt, Andrew J., Wenzler, Lisa A., Williams, John M., Beebe, Thomas P. Jr.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.24 MB

english, 1994

17

Structural and Vibrational Kinetics by Stroboscopic Gas Electron Diffraction: The 193 nm Photodissociation of CS2

Ischenko, Anatoli A., Schafer, Lothar, Luo, Jing Y., Ewbank, John D.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 711 KB

english, 1994

18

Pulsed Laser Evaporated Magnesium Atom Reactions with Hydrogen: Infrared Spectra of Five Magnesium Hydride Molecules

Tague, Thomas J., Andrews, Lester

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.24 MB

english, 1994

19

Proton Transfer between H-Zeolite and Adsorbed Acetone or Acetonitrile: Quantum Chemical and FTIR Study

Florian, Jan, Kubelkova, Ludmila

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1004 KB

english, 1994

20

Geometry-Dependent Trends in the Scattering of van der Waals Clusters from Crystal Surfaces

Niesse, J. A., Beauregard, J. N., Mayne, H. R.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 2.17 MB

english, 1994

21

Experimental and Theoretical Estimates of the Rotational g Factor of AlH in the Electronic Ground State X1.SIGMA.+

Sauer, S. P. A., Ogilvie, J. F.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 649 KB

english, 1994

22

Inductive and Steric Effects on the Gas-Phase Structure of tert-Butyl Acetate. Electron Diffraction and ab Initio MO Investigations

Takeuchi, Hiroshi, Enmi, J., Onozaki, Manabu, Egawa, Toru, Konaka, Shigehiro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 518 KB

english, 1994

23

C2H4B2N2: Ab Initio Prediction of Structure and Properties of Ring and Chain Compounds

Cernusak, Ivan, Urban, Miroslav, Stanton, John F., Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 768 KB

english, 1994

24

Thermochemistry of the Reactions of P+(3P) and P+(1D) with Formaldehyde. A G2 Molecular Orbital Study

Esseffar, M., Luna, A., Mo, O., Yanez, M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 840 KB

english, 1994

25

Structure and Vibrational Frequencies of the Molecular Trichloromethanesulfonic Acid and Its Anion from ab Initio Calculations

Gejji, Shridhar P., Hermansson, Kersti, Lindgren, Jan

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 656 KB

english, 1994

26

Kinetics of Thermal Unimolecular Dissociation by Ambient Infrared Radiation

Dunbar, Robert C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.01 MB

english, 1994

27

Weak Collision Effects on Broadening Factors for Unimolecular Reactions

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 761 KB

english, 1994

28

Collisional Stabilization Efficiencies That Control Condensation Flux Rates in Supersaturated Vapors of n-Alcohols and Water

Bauer, S. H., Wilcox, C. F. Jr.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 575 KB

english, 1994

29

Evaluating Rates and Yields of Second-Order, Photoinitiated Reactions under Conditions of Gaussian-Profile Excitation

Cambron, R. T., Zhu, X. R., Harris, J. M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1022 KB

english, 1994

30

Measurement of Barrier Heights of Semiconductor/Liquid Junctions Using a Transconductance Method: Evidence for Inversion at n-Si/CH3OH-1,1'-Dimethylferrocene+/0 Junctions

Laibinis, Paul E., Stanton, Colby E., Lewis, Nathan S.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 2.08 MB

english, 1994

31

Structural Defects Cause Different Rates of Phase Transformation of the Molecular Sieves TBA-VPI-5 and DPA-VPI-5 into AlPO4-8

He, Heyong, Barr, Tery L., Klinowski, Jacek

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 471 KB

english, 1994

32

Study of the Uptake of N2O5 by Water and NaCl Solutions

George, C., Ponche, J. L., Mirabel, P., Behnke, W., Scheer, V., Zetzsch, C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 600 KB

english, 1994

33

Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics Simulations

Lau, Kit Fun, Alper, Howard E., Thacher, Thomas S., Stouch, Terry R.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.96 MB

english, 1994

34

Solvation in Mixed Supercritical Fluids: TICT Spectra of Bis(4,4'-aminophenyl) Sulfone in Ethanol/CO2

Schulte, Richard D., Kauffman, John F.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 971 KB

english, 1994

35

Acid Catalysis of Excited-State Double-Proton Transfer in 7-Azaindole

Chang, Chen-Pin, Wen-Chi, Hwang, Meng-Shin, Kuo, Chou, Pi-Tai, Clements, John H.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 554 KB

english, 1994

36

ENDOR of Superoxide Dismutase: Structure Determination of the Copper Site from Randomly Oriented Specimen

Reinhard, Heiko, Kappl, Reinhard, Huettermann, Juergen, Viezzoli, Maria-Silvia

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 2.22 MB

english, 1994

37

Molecular Orientation and Structure of the Transition Moments of Porphyrin Derivatives with Various Symmetries

Gryczynski, Zygmunt, Paolesse, Roberto, Smith, Kevin M., Bucci, Enrico

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 535 KB

english, 1994