Volume 100; Issue 5

Journal of Physical Chemistry

Volume 100; Issue 5

1

A Density Functional Study of Acidic Hydroxyl Groups in Zeolites and Their Interaction with Carbon Monoxide

Farnworth, Kevin J., O'Malley, Patrick J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 555 KB

english, 1996

2

Gibbs−Langmuir Model for Interfacial Tension of Nonideal Organic Mixtures over Water

Yarranton, Harvey W., Masliyah, Jacob H.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 409 KB

english, 1996

3

Gold Particles Deposited on Electrodes in Salt Solutions under Different Potentials

Lu, Da-Ling, Tanaka, Ken-ichi

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 388 KB

english, 1996

4

Reduction of Silver Ions to a Colloid by Eriochrome Black T

Zhai, X., Efrima, S.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 336 KB

english, 1996

5

Effect of Cosolvents and Cosolutes upon Aggregation Transitions in Aqueous Solutions of the Poloxamer F87 (Poloxamer P237): A High Sensitivity Differential Scanning Calorimetry Study

Armstrong, Jonathan, Chowdhry, Babur, Mitchell, John, Beezer, Anthony, Leharne, Stephen

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 467 KB

english, 1996

6

Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation

Šponer, Jiří, Leszczynski, Jerzy, Hobza, Pavel

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 417 KB

english, 1996

7

FT-IR Study of H 218 O Adsorption on H-ZSM-5: Direct Evidence for the Hydrogen-Bonded Adsorption of Water

Wakabayashi, Fumitaka, Kondo, Junko N., Domen, Kazunari, Hirose, Chiaki

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 322 KB

english, 1996

8

Kinetics and Mechanism of the Complex Bromate−Iodine Reaction 1

Chinake, Cordelia R., Simoyi, Reuben H.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 620 KB

english, 1996

9

Distinguishing Features of Indolyl Radical and Radical Cation: Implications for Tryptophan Radical Studies 1

Walden, Susan E., Wheeler, Ralph A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 408 KB

english, 1996

10

Reaction of Isocyanic Acid and Hydrogen Atom (H + HNCO): Theoretical Characterization

Nguyen, Minh Tho, Sengupta, Debasis, Vereecken, Luc, Peeters, Jozef, Vanquickenborne, Luc G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 650 KB

english, 1996

11

Complexation and Interchromophoric Interactions in Self-Organized Porphyrin and Chlorin Triads

Chernook, Andrei V., Shulga, Alexander M., Zenkevich, Eduard I., Rempel, Ulrich, von Borczyskowski, Christian

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 518 KB

english, 1996

12

Halon Thermochemistry: Ab Initio Calculations of the Enthalpies of Formation of Fluoromethanes

Berry, R. J., Burgess, D. R. F., Nyden, M. R., Zachariah, M. R., Schwartz, M.

Journal:

Journal of Physical Chemistry

Year:

1996

File:

PDF, 29 KB

1996

13

Vibration−Pseudorotation Coupling in Symmetric Triatomic Molecules

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 482 KB

english, 1996

14

H 2 O Interaction with the Polar Cu 2 O(100) Surface: A Theoretical Study

Nygren, Martin A., Pettersson, Lars G. M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 370 KB

english, 1996

15

Control of the Size of Cobalt Ferrite Magnetic Fluid

Moumen, N., Pileni, M. P.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 598 KB

english, 1996

16

Direct Evidence of the Liquid−Solid Transition of a Sol−Gel Material Using Photoacoustic Spectroscopy

Puccetti, Germain, Leblanc, Roger M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 375 KB

english, 1996

17

Molecular and Electronic Structure of Zinc Carbyne, HZnCH, and Zinc Stannyne, HZnSnH, from ab Initio Calculations

San Miguel, M. A., Márquez, A., Fernández Sanz, Javier

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 445 KB

english, 1996

18

Energetics and Kinetics of Surface States at n-Type Silicon Surfaces in Aqueous Fluoride Solutions

Oskam, Gerko, Hoffmann, Peter M., Schmidt, John C., Searson, Peter C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 430 KB

english, 1996

19

Entropy of Hydrophobic Hydration: Extension to Hydrophobic Chains

Ashbaugh, Henry S., Paulaitis, Michael E.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1000 KB

english, 1996

20

Small Band Gap Semiconducting Polymers Made from Dye Molecules: Polysquaraines

Brocks, G., Tol, A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 584 KB

english, 1996

21

Site of Ionization of Polyfunctional Bases and Acids. 1. Ab Initio Proton Affinities

Bagno, Alessandro, Scorrano, Gianfranco

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 371 KB

english, 1996

22

A Comprehensive Analytical Treatment of Continuum Electrostatics

Schaefer, Michael, Karplus, Martin

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 713 KB

english, 1996

23

π Conjugation in 2,2‘-Bithiophene and Its Dimethyl Derivatives: Model Compounds of Organic Conducting Polymers Based on Thiophene Rings

Alemán, Carlos, Julia, Luis

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 491 KB

english, 1996

24

IR and Raman Spectra, Conformational Flexibility, and Scaled Quantum Mechanical Force Fields of Sodium Dimethyl Phosphate and Dimethyl Phosphate Anion †

Florián, Jan, Baumruk, Vladimír, Štrajbl, Marek, Bednárová, Lucie, Štěpánek, Josef

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 455 KB

english, 1996

25

Temperature-Dependent Rates of Electron Transfers and Intersystem Crossing on the Laser Excitation of Ligand-Bridged Ru(II) and Co(III) Compounds

Yoshimura, Akio, Nozaki, Koichi, Ikeda, Noriaki, Ohno, Takeshi

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1.09 MB

english, 1996

26

Specific Interactions of Antiretroviraly Active Drug Hypericin with DNA As Studied by Surface-Enhanced Resonance Raman Spectroscopy

Sánchez-Cortés, Santiago, Miskovsky, Pavol, Jancura, Daniel, Bertoluzza, Alesandro

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 480 KB

english, 1996

27

Site of Ionization of Polyfunctional Bases and Acids. 2. Ab Initio Electric Field Gradients at Nitrogen, Oxygen, Phosphorus, and Sulfur in Neutral and Ionized Forms

Bagno, Alessandro, Scorrano, Gianfranco

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 420 KB

english, 1996

28

Cation−Ether Complexes in the Gas Phase: Bond Dissociation Energies and Equilibrium Structures of Li + [O(CH 3 ) 2 ] x , x = 1−4

More, Michelle B., Glendening, Eric D., Ray, Douglas, Feller, David, Armentrout, P. B.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 721 KB

english, 1996

29

Analysis of Signal-to-Noise Ratios for Noise Excitation of Quadrupolar Nuclear Spins in Zero Field

Liao, Ming-Yuan, Zax, David B.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 345 KB

english, 1996

30

Application of the Nosé−Hoover Chain Algorithm to the Study of Protein Dynamics

Cheng, Ailan, Merz, Kenneth M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 494 KB

english, 1996

31

Comparison of Solvent and Probe Reorientation in Polyacrylamide Gels

Biermann, Uta M., Mikosch, Wolfgang, Dorfmüller, Thomas, Eimer, Wolfgang

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 609 KB

english, 1996

32

Energy Analysis and Model Calculations of Collisional Acceleration in Seeded Molecular Beams. Application to Xe/He and C 60 /He

Tsipinyuk, B., Budrevich, A., Kolodney, E.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 680 KB

english, 1996

33

Theory of the Low-Frequency Electrorotation of Polystyrene Particles in Electrolyte Solution

Grosse, Constantino, Shilov, Vladimir Nikolaievich

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 360 KB

english, 1996

34

Solvation Free Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density Functional Theory for the Solute

Tawa, Gregory J., Martin, Richard L., Pratt, Lawrence R., Russo, Thomas V.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 599 KB

english, 1996

35

Designing Compatibilizers To Reduce Interfacial Tension in Polymer Blends

Lyatskaya, Yulia, Gersappe, Dilip, Gross, Nicholas A., Balazs, Anna C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 533 KB

english, 1996

36

Simplified Classical Trajectory Model of Dissociative Scattering on Surfaces: Role of Incident Vibrational and Translational Energies

Martin, J. S., Feranchak, B. T., Morris, J. R., Greeley, J. N., Jacobs, D. C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 750 KB

english, 1996

37

Structure of Dipole Chains in an MFI Type Molecular Sieve

Reck, G., Marlow, F., Kornatowski, J., Hill, W., Caro, J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 449 KB

english, 1996

38

Monte Carlo Simulations on Intercalation of Tris(1,10-phenanthroline)metal(II) by Saponite Clay

Sato, Hisako, Yamagishi, Akihiko, Naka, Kazunari, Kato, Shigeki

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 848 KB

english, 1996

39

Study of the Denaturation Process in Albumin−Urea Solutions by Means of the Thermally Stimulated Depolarization Currents Technique

Vassilikou-Dova, A., Grigorakakis, S., Varotsos, P., Kapetanaki, A., Koutsikos, D.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 354 KB

english, 1996

40

Time-Resolved ESR Study of Spin Exchange Processes in the Photoreduction of 9,10-Anthraquinone-1,5-disulfonate

Beckert, D., Fessenden, R. W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 594 KB

english, 1996

41

A New Adsorption Model for Analyzing Gas−Solid Equilibria in Porous Materials

Drago, Russell S., Burns, Douglas S., Lafrenz, Todd J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 389 KB

english, 1996

42

Nonequilibrium Molecular Dynamics Study of Heat Conduction in Ionic Systems §

Bresme, Fernando, Hafskjold, Bjørn, Wold, Inge

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 520 KB

english, 1996

43

Electronic Factor in Theories of Electron Transfer. 1. Introduction

Campbell, Loudon, Matsen, F. A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 909 KB

english, 1996

44

Study of Microphase Separation in Solid, Binary Alkane Mixtures by Small Angle Neutron and X-ray Scattering

Annis, B. K., Londono, J. D., Wignall, G. D., Snyder, R. G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 379 KB

english, 1996

45

Long-Range Diffusion Coefficients in Two-Dimensional Fluid Media Measured by the Pyrene Excimer Reaction †

Martins, Jorge, Vaz, Winchil L. C., Melo, Eurico

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 342 KB

english, 1996

46

Adsorption and Reaction of Formic Acid on the Mo(110) and O/Mo(110) Surfaces

Xu, Chen, Goodman, D. W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1004 KB

english, 1996

47

Excited-State Dynamics of Ground-State Complexes between Haloanthraquinones and 2,5-Dimethylhexa-2,4-diene, and Quenching of Triplet Haloanthraquinones by 2,5-Dimethylhexa-2,4-diene

Nakayama, Toshihiro, Hamana, Tetsuya, Miki, Sadao, Hamanoue, Kumao

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 343 KB

english, 1996

48

Comparison of ab Initio and Empirical Potentials for H-Atom Association with Diamond Surfaces

de Sainte Claire, Pascal, Song, Kihyung, Hase, William L., Brenner, Donald W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 299 KB

english, 1996

49

Swelling of Polymeric Resins in Organic Solvents Induced by Dialkyldithio-Containing Extractants

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 383 KB

english, 1996

50

Chain End Dynamical and Conformational Properties of n- Nonadecane Molecules in Urea Inclusion Compounds: A Study by Deuterium NMR Spectroscopy

El Baghdadi, A., Dufourc, E. J., Guillaume, F.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 550 KB

english, 1996

51

A New Property of the ISM Equation of State †

Ghatee, Mohammad Hadi, Boushehri, Ali

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 348 KB

english, 1996

52

Transient Absorption Studies of the Primary Charge Separation in Photosystem II

Donovan, Brent, Walker, Larry A., Yocum, Charles F., Sension, Roseanne J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 558 KB

english, 1996

53

Enumeration of B 24- m N m Cages

Shao, Yihan, Jiang, Yuansheng

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 396 KB

english, 1996

54

Singlet and Triplet State Back Electron Transfer from Photogenerated Radical Ion Pairs Studied by Time-Resolved CIDNP

Schaffner, Erik, Fischer, Hanns

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 551 KB

english, 1996

55

Splitting of 2D Waves of Excitation in a Direct Current Electric Field

Ševčíková, Hana, Kosek, Juraj, Marek, Miloš

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1.11 MB

english, 1996

56

Thermochemistry of Tetrazete and Tetraazatetrahedrane: A High-Level Computational Study

Glukhovtsev, Mikhail N., Laiter, Sergei

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 537 KB

english, 1996

57

Application of Circularly Polarized Luminescence Spectroscopy to Tb(III) and Eu(III) Complexes of Transferrins

Abdollahi, Sohrab, Harris, Wesley R., Riehl, James P.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 552 KB

english, 1996

58

Electron Paramagnetic Resonance and Electron Spin Echo Modulation Study of Surface Sites of the Porous Aluminosilicate MCM-41 Using Transition Metal Ion Probes

Luca, Vittorio, MacLachlan, Dugald J., Bramley, Richard, Morgan, Keith

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 626 KB

english, 1996

59

Cavitation and Electrostatic Free Energy for Molecular Solutes in Liquid Crystals

Mennucci, Benedetta, Cossi, Maurizio, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 515 KB

english, 1996

60

Comparative ab Initio Study of the Chemical Reactivity of Nitromethane Adsorbed on Basic Oxides: MgO and CaO(100)

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 425 KB

english, 1996

61

Stereochemical Effects on Monolayer Formation of [Ru(dpp) 3 ] 2+ (dpp = 4,7-Diphenyl-1,10-phenanthroline) at an Air−Water Interface

Yamagishi, Akihiko, Goto, Yasutomo, Taniguchi, Masahiro

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 753 KB

english, 1996

62

Ion Adsorption in the Electrical Double Layer: Variational Solution to the Hypernetted Chain Equations

Greathouse, Jeffery A., McQuarrie, Donald A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 327 KB

english, 1996

63

Properties of Transition Species in the Reactions of Hydroxyl with Ammonia and with Itself

Bowdridge, Michael, Furue, Hiroshi, Pacey, Philip D.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 330 KB

english, 1996

64

High-Pressure Studies on the Excited-State Intramolecular Charge Transfer of 4-( N , N -Dimethylamino)triphenylphosphine in Alcohols

Hara, Kimihiko, Kometani, Noritsugu, Kajimoto, Okitsugu

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 422 KB

english, 1996

65

Alternate Interpretation of the Change Observed in H + Ion Concentration Levels of the Aqueous Medium of Metal Oxide Suspensions in Response to Change in the Electrolyte Concentration Levels of the Aqueous Medium

Marinsky, Jacob A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1.07 MB

english, 1996

66

Influence of the Chemical Composition upon Adsorption, Coadsorption, and Reactivity of Ammonia and Methanol on Alkali-Exchanged Zeolites

Kogelbauer, Andreas, Gründling, Christian, Lercher, Johannes A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 334 KB

english, 1996

67

Ab Initio Study of 13 C NMR Chemical Shifts for the Chromophores of Rhodopsin and Bacteriorhodopsin. 2. Comprehensive Analysis of the 13 C Chemical Shifts of Protonated all - trans -Retinylidene Schiff Base

Sakurai, Minoru, Wada, Mitsuhito, Inoue, Yoshio, Tamura, Yusuke, Watanabe, Yoichi

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 1.10 MB

english, 1996

68

Micrometer Size Effect on Dye Association in Single Laser-Trapped Water Droplets

Yao, Hiroshi, Inoue, Yasuhisa, Ikeda, Hiroshi, Nakatani, Kiyoharu, Kim, Haeng-Boo, Kitamura, Noboru

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 513 KB

english, 1996

69

Magnetic Field Effects on the Solute Luminescence of Alkane Solutions Irradiated with Heavy Ions

LaVerne, Jay A., Brocklehurst, Brian

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 631 KB

english, 1996

70

Vibrational Stark Spectroscopy. 2. Application to the CN Stretch in HCN and Acetonitrile

Reimers, J. R., Zeng, J., Hush, N. S.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 486 KB

english, 1996

71

Destabilization of Three-Dimensional Rotating Chemical Waves in an Inhomogeneous BZ Reaction

Mironov, Sergey, Vinson, Michael, Mulvey, Scott, Pertsov, Arkady

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 638 KB

english, 1996

72

Excitation Mechanism in the Collision-Induced Dissociation of Methane Molecular Ion at Kiloelectronvolt Translational Energy

Lee, Hee Seung, Kim, Myung Soo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 196 KB

english, 1996

73

Comparison of Continuum and Explicit Models of Solvation: Potentials of Mean Force for Alanine Dipeptide

Marrone, Tami J., Gilson, Michael K., McCammon, J. Andrew

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 280 KB

english, 1996

74

Surface Pressure Determines the Interaction between Poly(oxyethylene) and a Surfactant Bilayer

Meier, Wolfgang, Ramsden, Jeremy J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 325 KB

english, 1996

75

Analysis of the Intervalence Band in the Oxidized Photosynthetic Bacterial Reaction Center

Gasyna, Zbigniew, Schatz, Paul N.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 462 KB

english, 1996

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