Volume 98; Issue 4

Journal of Physical Chemistry

Volume 98; Issue 4

1

Simulation of the temperature dependence of mechanical properties of polyethylene

Lacks, Daniel J., Rutledge, Gregory C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.13 MB

english, 1994

2

Investigation of the Structure of Microporous Ti-Si Mixed Oxides by X-ray, UV Reflectance, FT-Raman, and FT-IR Spectroscopies

Liu, Zhufang, Davis, Robert J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1020 KB

english, 1994

3

Thermodynamics of multicomponent, miscible, ionic solutions: generalized equations for symmetrical electrolytes. [Erratum to document cited in CA116(20):202049x]

Clegg, Simon L., Pitzer, Kenneth S.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 111 KB

english, 1994

4

Bucky(basket)ball: Stabilization of Electrogenerated C60.bul.- Radical Monoanion in Water by Means of Cyclodextrin Inclusion Chemistry

Boulas, Pierre, Kutner, Wlodzimierz, Jones, M. Thomas, Kadish, Karl M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 623 KB

english, 1994

5

Ab initio studies of the conformations of methylamine and ethylenediamine: interaction forces affecting the structural stability

Lee, S. J., Mhin, B. J., Cho, S. J., Lee, J. Y., Kim, K. S.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 622 KB

english, 1994

6

Quenching of the Excited States of Ruthenium(II)-Diimine Complexes by Oxygen

Mulazzani, Quinto G., Sun, Hai, Hoffman, Morton Z., Ford, William E., Rodgers, Michael A. J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 722 KB

english, 1994

7

Electron distributions in peptides and related molecules. Experimental and theoretical study of Leu-enkephalin trihydrate

Wiest, Roland, Pichon-Pesme, Virginie, Benard, Marc, Lecomte, Claude

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.30 MB

english, 1994

8

Relative reactivities of some carbon-hydrogen bonds in hydrogen abstraction by methyl radicals at 950 K

Kopinke, F.-D., Remmler, M., Mensing, H., Hugo, P.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 531 KB

english, 1994

9

An Approach to Molecular Similarity using Density Functional Theory

Lee, Chengteh, Smithline, Shep

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 406 KB

english, 1994

10

Ab Initio and Density Functional Calculations on Ethylene Glycol

Oie, Tetsuro, Topol, Igor A., Burt, Stanley K.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.03 MB

english, 1994

11

Hydrodynamic voltammetry with channel microband electrodes: potential step transients

Compton, R. G., Dryfe, R. A. W., Alden, J. A., Rees, N. V., Dobson, P. J., Leigh, P. A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.03 MB

english, 1994

12

Molecular mechanics potential for silica and zeolite catalysts based on ab initio calculations. 1. Dense and microporous silica

Hill, Joerg R., Sauer, Joachim

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.63 MB

english, 1994

13

Studies on the thermodynamics of the fullerene C60-C70 binary system

Sai Baba, M., Lakshmi Narasimhan, T. S., Balasubramanian, R., Sivaraman, N., Mathews, C. K.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 886 KB

english, 1994

14

Infrared Spectroscopic Characterization of Tungsten Carbonyl Species Formed by Ultraviolet Photoreduction of Silica-Supported Tungsten(VI) in Carbon Monoxide

Kohler, Steven D., Ekerdt, John G.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 632 KB

english, 1994

15

Structural and Catalytic Properties of Model Supported Nickel Catalysts

Coulter, Kent, Xu, Xueping, Goodman, D. Wayne

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 612 KB

english, 1994

16

Molecular Simulations of the Polymerization of Silicic Acid Molecules and Network Formation

Garofalini, Stephen H., Martin, Glen

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 2.94 MB

english, 1994

17

Clinoptilolite and Heulandite Structural Differences as Revealed by Multinuclear Nuclear Magnetic Resonance Spectroscopy

Ward, Raymond L., McKague, H. Lawrence

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 723 KB

english, 1994

18

ESCA Studies of Framework Silicates with the Sodalite Structure: 1. Comparison of Purely Siliceous Sodalite and Aluminosilicate Sodalite

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

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 420 KB

english, 1994

19

Synthesis of TBA-VPI-5 and DPA-VPI-5

He, Heyong, Klinowski, Jacek

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 674 KB

english, 1994

20

Thermodynamics of multicomponent, miscible, ionic solutions. Mixtures including unsymmetrical electrolytes. [Erratum to document cited in CA117(22):221099a]

Clegg, Simon L., Pitzer, Kenneth S., Brimblecome, Peter

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 111 KB

english, 1994

21

Orientational Order of Liquid-Crystalline 4-Alkyl-N-(p-cyanophenyl)piperidines by 2H and 13C NMR Spectroscopies

Sheikh-Ali, Bashir M., Khetrapal, C. L., Weiss, Richard G.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 470 KB

english, 1994

22

Theoretical Study of Bound States of Ar-NO

Schmelz, Thomas, Rosmus, Pavel, Alexander, Millard H.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 825 KB

english, 1994

23

Iminopropadienones, RN:C:C:C:O. Theory and experiment

Mosandl, T., Stadtmuller, S., Wong, M. Wah, Wentrup, C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 852 KB

english, 1994

24

Structural Distortion of CH3I in an Ion-Dipole Precursor Complex

Hu, Wei Ping, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 486 KB

english, 1994

25

Comparison of Theoretical and Experimental Differential Cross Sections for the H + D2 Reaction

Mielke, Steven L., Truhlar, Donald G., Schwenke, David W.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 563 KB

english, 1994

26

Gas-Phase Collision-Induced Dissociation of Highly Excited NO2

Bieler, C. R., Sanov, A., Hunter, M., Reisler, H.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 897 KB

english, 1994

27

Determination of the barriers to internal rotation in ONOOX (X = H, Cl) and characterization of the minimum energy conformers

McGrath, M. P., Rowland, F. S.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.53 MB

english, 1994

28

Raman excitation spectra of exciton-phonon modes of aggregated 2,2'-cyanine using an internal Raman standard

Akins, D. L., Zhuang, Y. H., Zhu, H. R., Liu, J. Q.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 596 KB

english, 1994

29

The .pi.-electron stabilization in benzocyclobutenes

Ou, M. C., Chu, S. Y.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 348 KB

english, 1994

30

Reactions of methylium ion with second-row atoms: an ab initio study

Flores, Jesus R., Barrientos, Carmen, Largo, Antonio

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 977 KB

english, 1994

31

An ab initio study of the structures, barriers to internal rotation, vibrational frequencies, and thermodynamic functions of 1,1,2-trifluoroethane and 1,1,2,2-tetrafluoroethane

Chen, Y., Paddison, S. J., Tschuikow-Roux, E.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 995 KB

english, 1994

32

Electronic structure and conformational properties of vinylphosphonic acid and some related derivatives

Hernandez-Laguna, A., Sainz-Diaz, C. I., Smeyers, Y. G., de Paz, J. L. G., Galvez-Ruano, E.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.65 MB

english, 1994

33

Hexafluorochromate CrF62-: a stable dianion in the gas phase?

Hendrickx, M., Ceulemans, M., Vanquickenborne, L. G.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 480 KB

english, 1994

34

Collisional energy transfer in the two-channel thermal unimolecular reaction of chloroethane-1,1,2-d3

Choi, Chang Ju, Lee, Bum Wook, Jung, Kyung Hoon, Tschuikow-Roux, E.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 627 KB

english, 1994

35

Ethoxy Radical Yield in the System C2D5OH plus F(2P) plus F2 at P = 1 Torr and T = 223-423 K

Bogan, Denis J., Nesbitt, Fred L.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 592 KB

english, 1994

36

Isotope and Temperature Effects on the Kinetics of Low-Pressure Association Reactions of Protonated Acetone with Acetone by Fourier Transform Ion Cyclotron Resonance Spectrometry

Tholmann, D., McCormick, A., McMahon, T. B.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 558 KB

english, 1994

37

Isomerization and decomposition of propylene oxide. Studies with a single-pulse shock tube

Lifshitz, Assa, Tamburu, Carmen

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 992 KB

english, 1994

38

Experimental Stabilization of Unstable Steady States in Oscillatory and Excitable Reaction Systems

Hjelmfelt, A., Ross, J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 425 KB

english, 1994

39

Ab Initio Study of the Base-Catalyzed Hydrolysis of Methyl Formate

Pranata, Julianto

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.73 MB

english, 1994

40

Fluorescence Probe Studies of Mixed Micellar and Lyotropic Phases Formed between an Anionic Bile Salt and a Cationic Detergent

Wu, Karen, McGown, Linda B.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 850 KB

english, 1994

41

Dynamics of Water in the Aluminophosphate Molecular Sieve VPI-5: A 2H NMR Study

Duer, Melinda J., He, Heyong, Kolodziejski, Waclaw, Klinowski, Jacek

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.41 MB

english, 1994

42

Genesis and Growth of Pt Particles on MgO: Characterization of X-ray Absorption Spectroscopy and Infrared Spectroscopy

Purnell, S. K., Sanchez, K. M., Patrini, R., Chang, J. R., Gates, B. C.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 823 KB

english, 1994

43

Electron Spin Resonance Study of Ni(I) in Silicoaluminophosphate Type 11: Adsorbate Interactions and Evidence for Framework Incorporation of Ni(I)

Azuma, Naoto, Lee, Chul Wee, Kevan, Larry

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 576 KB

english, 1994

44

Polypyrrole film formation by solution-surface electropolymerization: influence of solvents and doped anions

Lee, Seungjun, Sung, Hyunkyung, Han, Sujung, Paik, Woonkie

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 329 KB

english, 1994

45

Unexpectedly Large Selectivities for Olefin Separations Utilizing Silver Ion in Ion-Exchange Membranes

Thoen, P. M., Noble, R. D., Koval, C. A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.52 MB

english, 1994

46

Novel Method for Determinations of the Successive Formation Constants for Complexation of Transition Metal Ions with Polymer Ligands

Seki, Keiko, Isobe, Mitsuru, Yanagita, Kazutaka, Abe, Toshiyuki, Kurimura, Yoshimi, Kimijima, Tetsuya

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 485 KB

english, 1994

47

Theoretical and inelastic neutron-scattering studies of tetraethylammonium cation as a molecular sieve template

Brand, H. V., Curtiss, L. A., Iton, L. E., Trouw, F. R., Brun, T. O.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.30 MB

english, 1994

48

A Method for the Prediction of the Transport Properties of Dense Fluids: Application to Liquid n-Alkanes

Sun, T. F., Bleazard, J., Teja, A. S.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 509 KB

english, 1994

49

Theory of Liquid Chromatographic Retention and Solute-Transfer Thermodynamics Using the Bethe-Guggenheim Quasi-chemical Approach

Boehm, Richard E., Martire, Daniel E.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.14 MB

english, 1994

50

Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect

Jungwirth, Pavel, Zahradnik, Rudolf

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 628 KB

english, 1994

51

Determination of Atomic Charges Including solvation and Conformational Effects

Marrone, Tami J., Hartsough, David S., Merz, Kenneth M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 324 KB

english, 1994

52

Comparative studies of antitumor DNA intercalating agents, aclacinomycin and saintopin, by means of surface-enhanced Raman scattering spectroscopy

Nabiev, I., Chourpa, I., Manfait, M.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 911 KB

english, 1994

53

Kinetics of Disproportionation and pKa of Bromous Acid

Faria, R. B., Epstein, Irving R., Kustin, Kenneth

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 567 KB

english, 1994

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