Volume 99; Issue 16

Journal of Physical Chemistry

Volume 99; Issue 16

1

Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water

Tuckerman, Mark, Laasonen, Kari, Sprik, Michiel, Parrinello, Michele

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.25 MB

english, 1995

2

Structural and Catalytic Properties of Novel Au/Pd Bimetallic Colloid Particles: EXAFS, XRD, and Acetylene Coupling

Lee, Adam F., Baddeley, Christopher J., Hardacre, Christopher, Ormerod, R. Mark, Lambert, Richard M., Schmid, Guenter, West, Heike

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 851 KB

english, 1995

3

Theoretical Study of the [Al,H,C,N]+ Potential Energy Surface Combined with Experimental Investigations on Al(HCN)+

Stoeckigt, Detlef, Holthausen, Max C., Koch, Wolfram, Schwarz, Helmut

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 757 KB

english, 1995

4

Solvent Effects on the Electronic Spectrum of C60

Gallagher, Sean H., Armstrong, Robert S., Lay, Peter A., Reed, Christopher A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1019 KB

english, 1995

5

Free Radical Production by Sonolysis of Aqueous Mixtures of N,N-Dimethylformamide: An EPR Spin Trapping Study

Misik, Vladimir, Kirschenbaum, Louis J., Riesz, Peter

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 761 KB

english, 1995

6

Thermochemistry of the Deacon Process

Hisham, Mohamed W. M., Benson, Sidney W.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 484 KB

english, 1995

7

On Building a Data Bank of Transferable Experimental Electron Density Parameters Applicable to Polypeptides

Pichon-Pesme, V., Lecomte, C., Lachekar, H.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 979 KB

english, 1995

8

Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide

Caldwell, James W., Kollman, Peter A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 887 KB

english, 1995

9

Effect of Water on Diffusion and Ionic Conductivity in PEG and LiCF3SO3PEG10

Johansson, Anna, Lauenstein, Aasa, Tegenfeldt, Joergen

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 483 KB

english, 1995

10

Optical and Electrochemical Properties of cis-1,2-Dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene

Koshido, Takashi, Kawai, Tsuyoshi, Yoshino, Katsumi

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 542 KB

english, 1995

11

Aspects of Thermal Diffusion Forced Rayleigh Scattering: Heterodyne Detection, Active Phase Tracking, and Experimental Constraints

Koehler, W., Rossmanith, P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.06 MB

english, 1995

12

Methanol Oxidation at p-Si/Pt Electrodes. Evidence for Hot Hole Reactivity

Frese, K. W., Chen, C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.65 MB

english, 1995

13

Evidence for the Cyclic Form of Phenol Trimer: Vibrational Spectroscopy of the OH Stretching Vibrations of Jet-Cooled Phenol Dimer and Trimer

Ebata, Takayuki, Watanabe, Takeshi, Mikami, Naohiko

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 944 KB

english, 1995

14

Ab Initio Calculations on Small Molecule Analogs of Polycarbonates

Sun, H., Mumby, S. J., Maple, J. R., Hagler, A. T.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.22 MB

english, 1995

15

Time-Resolved Resonance Raman Spectroscopic Study on Copper(II) Porphyrins in Various Solvents: Solvent Effects on the Charge Transfer States

Jeoung, Sae Chae, Kim, Dongho, Cho, Dae Won, Yoon, Minjoong

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 813 KB

english, 1995

16

Salt Effects on Nonionic Microemulsions Are Driven by Adsorption/Depletion at the Surfactant Monolayer

Kabalnov, Alexey, Olsson, Ulf, Wennerstroem, Hkan

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.27 MB

english, 1995

17

Radiation-Induced Polymerization of a Mono- and Diacrylate Studied Using a Fluorescent Molecular Probe

Schaeken, Thomas C., Warman, John M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 746 KB

english, 1995

18

Structure, Energetics, and Force Fields of the Cyclic Formamide Dimer: MP2, Hartree-Fock, and Density Functional Study

Florian, Jan, Johnson, Benny G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.28 MB

english, 1995

19

Laser Initiation of the Decomposition of Energetic Polymers: Shock Wave Formation

Ben-Eliahu, Yeshayahu, Haas, Yehuda, Welner, Shmuel

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 964 KB

english, 1995

20

Theoretical Study of Tautomerism in the Reduced Forms of 1,4-Disubstituted Anthraquinones

Morley, John O.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 571 KB

english, 1995

21

Vapor Pressures of Dilute Aqueous t-Butyl Alcohol: How Dilute Is the Henry's Law Region?

Koga, Yoshikata

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 285 KB

english, 1995

22

An Extensive Mesh Phase Liquid Crystal in Aqueous Mixtures of a Long Chain Nonionic Surfactant

Burgoyne, John, Holmes, Michael C., Tiddy, Gordon J. T.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 3.03 MB

english, 1995

23

Ultrafast Measurements of Chemistry in Clusters: Excited-State Proton Transfer

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.75 MB

english, 1995

24

Lamellar and L3 Phases in the "Simple" H2O-C8E5-1-Octanol System: Evidence of Synergism

Penders, M. H. G. M., Strey, R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 558 KB

english, 1995

25

Ferromagnetic Behavior of Superhigh Surface Area Carbon

Ishii, C., Matsumura, Y., Kaneko, K.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 724 KB

english, 1995

26

Ionization of chlorine nitrate on ice at 180 K

Sodeau, John R., Horn, Andrew B., Banham, Sally F., Koch, Thomas G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 429 KB

english, 1995

27

Diffusion of Pseudoplanar Solutes: An Investigation on the Effects of Hydrogen Bonding

Chan, M. L., Chan, T. C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 356 KB

english, 1995

28

Surface Diffusion in Microstructured, Ion-Exchange Matrixes: Nafion/Neutron Track-Etched Polycarbonate Membrane Composites

Fang, Yun, Leddy, Johna

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.74 MB

english, 1995

29

Unusual Magnetic Property of Ba2CrTaO6 and Phase Transformation under High Pressure

Hong, Seung-Tae, Park, Jae-Hyun, Choy, Jin-Ho

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.10 MB

english, 1995

30

Random Magnetism of O2 Confined in a Slit-Shaped Graphitic Nanospace at Low Temperature

Kanoh, Hirofumi, Kaneko, Katsumi

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 271 KB

english, 1995

31

Reversible Charge Migration in the Excited State of an Electron Donor-Donor-Acceptor System Detected via Delayed Charge Transfer Fluorescence

Willemse, R. J., Verhoeven, J. W., Brouwer, A. M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 418 KB

english, 1995

32

Energy Gap Dependence of Charge Recombination Rates of Ion Pairs Produced by Excitation of Charge-Transfer Complexes Adsorbed on the Porous Glass

Miyasaka, Hiroshi, Kotani, Shoji, Itaya, Akira

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 426 KB

english, 1995

33

Remarkably Distinctive Recognition of .alpha.-Alanine and .alpha.-Phenylalanine during the Water-Catalyzed Hydrolysis of an Activated Amide

Streefland, Lisette, Blandamer, Michael J., Engberts, Jan B. F. N.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 289 KB

english, 1995

34

Dynamic Structure of Methylcyclohexane and Perfluoromethylcyclohexane Liquids in Confinement and in Bulk

Xu, Shu, Ballard, L., Kim, Y. J., Jonas, J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 689 KB

english, 1995

35

Vibrationally Enhanced Proton Transfer

Hammes-Schiffer, Sharon, Tully, John C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 671 KB

english, 1995

36

Orientation Dependence of the CF3* Formation in Collisional Energy Transfer Reactions: CF3Cl + Ar(3P) .fwdarw. CF3* + Cl + Ar and CF3Br + Kr(3P) .fwdarw. CF3* + Br + Kr

Ohoyama, H., Makita, H., Kasai, T., Kuwata, K.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 876 KB

english, 1995

37

Further Studies on the Nature of the Lowest Excited Triplet States of Haloanthraquinones: Triplet-Triplet Absorption and Phosphorescence Spectra of the .alpha.-Halo (1-Bromo, 1-Bromo-5-chloro, 1,5-Dibromo, 1-Bromo-8-chloro, 1,8-Dibromo) and .beta.-Halo (2-Bromo) Compounds

Hamanoue, Kumao, Nakayama, Toshihiro, Tsujimoto, Iori, Miki, Sadao, Ushida, Kiminori

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.03 MB

english, 1995

38

Studies of the Vibrational and Electronic Structure of the S1 Excited States of .beta.-Substituted Porphyrins by Picosecond Time-Resolved Resonance Raman Spectroscopy

Kumble, Ranjit, Loppnow, Glen R., Hu, Songzhou, Mukherjee, Arka, Thompson, Mark A., Spiro, Thomas G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.25 MB

english, 1995

39

Reaction Pathways for the Photochemical Synthesis of Pentalene

Neumann, Frank, Jug, Karl

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 449 KB

english, 1995

40

Calculated and Experimental Structures of the p-Difluorobenzene-(H2O)n=1-3 Clusters in Their Different Electronic States and Inference for Ionic Nucleophilic Substitution

Brenner, V., Martrenchard-Barra, S., Millie, P., Dedonder-Lardeux, C., Jouvet, C., Solgadi, D.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 3.60 MB

english, 1995

41

Scavenging Reaction of Solvated Electrons Produced by UV Laser from Iodide Anion in Liquid Beam

Matsumura, Hisashi, Mafune, Fumitaka, Kondow, Tamotsu

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 946 KB

english, 1995

42

Magnetooptical Spectroscopy of Zinc Octaethylporphyrin in an Argon Matrix

Gasyna, Zbigniew, Metcalf, David H., Schatz, Paul N., McConnell, Cara L., Williamson, Bryce E.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.35 MB

english, 1995

43

Ab Initio Molecular Orbital Study of the Chemical Reactions of Diborane with Ammonia

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 690 KB

english, 1995

44

Theoretical Studies on the Dynamic Properties of the Reaction NH2 + H .fwdarw. NH + H2

Xu, Zhen-Feng, Fang, De-Cai, Fu, Xiao-Yuan

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 605 KB

english, 1995

45

Ab-initio calculations and semiempirical corrections to obtain enthalpies of formation of hydrocarbons through isodesmic reactions

Selmi, Massimo, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 628 KB

english, 1995

46

Theoretical Study on Photooxygenation of Large Polycyclic Aromatic Hydrocarbons by Semiempirical Molecular Orbital Methods

Sakai, Ken-ichi, Ohshima, Shigeru, Uchida, Akira, Oonishi, Isao, Fujisawa, Shoji, Nagashima, Umpei

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 556 KB

english, 1995

47

Multiple Metal Additions to C60. An ab Initio Study of [M(PH3)2]nC60 (M = Pt and Pd; n = 1, 2, and 6)

Bo, Carles, Costas, Miquel, Poblet, Josep M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.43 MB

english, 1995

48

Theoretical Study of Fe(CO)n-

Ricca, Alessandra, Bauschlicher, Charles W.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.02 MB

english, 1995

49

Ab Initio Predictions of Vibrational Frequencies for Cationic Species

Peterson, Peter E., Abu-Omar, Mahdi, Johnson, Thomas W., Parham, Ricky, Goldin, Dennis, Henry, Charles, Cook, Andrew, Dunn, Kevin M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 738 KB

english, 1995

50

Theoretical Study of the Low-Lying Electronic States of 4-Oxo-2,5-cyclohexadienylidene and Their Formation from 1H-Bicyclo[3.1.0]hexa-3,5-dien-2-one

Sole, Albert, Olivella, Santiago, Bofill, Josep M., Anglada, Josep M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.23 MB

english, 1995

51

Energetics and Dynamics of Intermolecular Proton-Transfer Processes. 1. Ab Initio Studies of the Potential Energy Surface for the Reaction H3O+ + NH3 .fwdarw. NH4+ + H2O

Bueker, Heinz-Hermann, Uggerud, Einar

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.07 MB

english, 1995

52

Anharmonic Force Field of Formamide. A Computational Study

Bour, Petr, Bednarova, Lucie

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 789 KB

english, 1995

53

Gaussian-2 ab Initio Study of CH3SSCH2 and CH3SF

Cheung, Yu-San, Li, Wai-Kee, Ng, Cheuk-Yiu

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 379 KB

english, 1995

54

Photolysis of Matrix Isolated Cyclopropylidene Ketene: Kinetic and Theoretical Studies of the Cyclopropylidene Formation

Monnier, Maurice, Allouche, Alain, Verlaque, Patrick, Aycard, Jean-Pierre

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 619 KB

english, 1995

55

Kinetic Study of the NCO + C2H4 Reaction

Becker, K. H., Kurtenbach, R., Wiesen, P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 686 KB

english, 1995

56

Reactions of Atmospheric Ions with Selected Hydrofluorocarbons

Morris, Robert A., Viggiano, A. A., Arnold, Susan T., Paulson, J. F., Liebman, Joel F.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 918 KB

english, 1995

57

Kinetics of the Reactions of CF3O Radicals with CO and H2O

Turnipseed, Andrew A., Barone, Stephen B., Jensen, Niels R., Hanson, D. R., Howard, Carleton J., Ravishankara, A. R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.17 MB

english, 1995

58

Radiolytic Reduction of Rhodium Porphyrins. Chain Reaction in Alkaline 2-Propanol

Grodkowski, J., Neta, P., Hambright, P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 550 KB

english, 1995

59

Comparative IR Study of Ethylene Adsorption on a PtRh Alloy and Monometallic Pt and Rh Catalysts Supported on Al2O3. Identification of Alloy-Specific Binding Sites

Celio, Hugo, Trenary, Michael, Robota, Heinz J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 590 KB

english, 1995

60

Substitution of Aluminum in Aluminophosphate Molecular Sieve by Magnesium: A Combined NMR and XRD Study

Deng, Feng, Yue, Yong, Xiao, TianCun, Du, Youru, Ye, Chaohui, An, Lidun, Wang, Hongli

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 849 KB

english, 1995

61

"Structured Nuclei" of 4-Octadecyloxybenzoic Acid Monolayer for Induced Nucleation of 4-Hydroxybenzoic Acid Monohydrate As Determined by Grazing Incidence X-ray Diffraction on the Aqueous Solution

Weissbuch, Isabelle, Berkovic, Garry, Yam, Ruth, Als-Nielsen, Jens, Kjaer, Kristian, Lahav, Meir, Leiserowitz, Leslie

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.86 MB

english, 1995

62

Photocyclodimerization of Cinnamic Acid on a Reaction Matrix: Structural Effect of Molecular Assemblies Constructed by Amphiphilic Compounds

Imae, Toyoko, Tsubota, Toshinari, Mori, Osamu, Takagi, Katsuhiko, Itoh, Mariko, Sawaki, Yasuhiko

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.45 MB

english, 1995

63

Conversion of SiCl Pair and Island Sites to SiCl Single Site upon Annealing of Cl/Si(111)-7x7 Surfaces

Yan, Chun, Jensen, John A., Kummel, Andrew C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.54 MB

english, 1995

64

Overlayer Formation in the n-CdSe/[Fe(CN)6]4-/3- Photoelectrochemical System As Probed by Laser Raman Spectroscopy and Electrochemical Quartz Crystal Microgravimetry

de Tacconi, N. R., Myung, N., Rajeshwar, K.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

65

Adsorption of CO on MgO Surface. Characterization of Adsorbed Species

Tashiro, Toshihiko, Ito, Junji, Sim, Ryung-Bo, Miyazawa, Kou, Hamada, Etsuo, Toi, Keio, Kobayashi, Hisayoshi, Ito, Tomoyasu

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 885 KB

english, 1995

66

Absolute Cross Section for Dissociative Electron Attachment to CF4 Condensed onto Multilayer Krypton

Bass, Andrew D., Gamache, Jerry, Parenteau, Luc, Sanche, Leon

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 609 KB

english, 1995

67

Local Environment Fine Structure in the 29Si NMR Spectra of Faujasite Zeolites

Melchior, M. T., Vaughan, D. E. W., Pictroski, C. F.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.01 MB

english, 1995

68

Role of the Inner-Sphere Reorganization in the Photoinduced Electron Transfer Reaction of Ru(II) Complexes Containing Imine C:N or Azo N:N Double Bonds in the Ligands

Maruyama, Mutsuhiro, Kaizu, Youkoh

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.49 MB

english, 1995

69

Sticking Probabilities for CO Adsorption on Pt(111) Surfaces Revisited

Liu, J., Xu, M., Nordmeyer, T., Zaera, F.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

70

Water-Salt Phase Equilibria at Elevated Temperatures and Pressures: Model Development and Mixture Predictions

Economou, Ioannis G., Peters, Cor J., de Swaan Arons, Jakob

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.45 MB

english, 1995

71

Transport Equation for Calculating Power Spectra of Schroedinger Waves: Application to Exchange-Narrowing and Environmental Isomers

Knudsen, F. F., Naqvi, K. Razi

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 747 KB

english, 1995

72

Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 3. Effect of the Electric Field on Conformations about the Glycosidic Linkage

Tvaroska, Igor, Carver, Jeremy P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 794 KB

english, 1995

73

Instabilities of the Stripe Phase in Lipid Monolayers

de Koker, Rudi, Jiang, Weina, McConnell, Harden M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.19 MB

english, 1995

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