Volume 99; Issue 17

Journal of Physical Chemistry

Volume 99; Issue 17

1

Development of Local Hardness-Related Reactivity Indices: Their Application in a Study of the SE at Monosubstituted Benzenes within the HSAB Context

Langenaeker, W., de Proft, F., Geerlings, P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 807 KB

english, 1995

2

Calculation of Proton Affinities Using the G2(MP2,SVP) Procedure

Smith, Brian J., Radom, Leo

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 437 KB

english, 1995

3

Photoinduced Reactions of Oxygen-Deficient Centers with Molecular Hydrogen in Silica Glasses

Radzig, V. A., Bagratashvili, V. N., Tsypina, S. I., Chernov, P. V., Rybaltovskii, A. O.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 848 KB

english, 1995

4

Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization

Thompson, Mark A., Schenter, Gregory K.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.94 MB

english, 1995

5

Linear vs Angular Phenylenes: An Interplay of Aromaticity, Antiaromaticity, and Baeyer Strain in Fused Molecular Systems

Maksic, Z. B., Kovacek, D., Eckert-Maksic, M., Bockmann, M., Klessinger, M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 727 KB

english, 1995

6

Density Functional Study of Complexes between Lewis Acids and Bases

Branchadell, Vicenc, Sbai, Abdelouahid, Oliva, Antonio

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 572 KB

english, 1995

7

Silver Zeolite-Modified Electrodes: Electron-Transport Mechanism and Ion-Exchange Kinetics for Partially Silver Exchanged Zeolite Y

Baker, Mark D., Zhang, Jiwu, McBrien, Michael

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 504 KB

english, 1995

8

Gas-Phase Generation of the Unstable BrCNO Molecule and Its Stable Dibromofuroxan Dimer. He I Photoelectron, Photoionization Mass Spectroscopy, Mid-Infrared, and ab Initio Studies

Pasinszki, Tibor, Westwood, Nicholas P. C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.12 MB

english, 1995

9

Charge Separation in Donor-Chromophore-Acceptor Assemblies: Linkage and Driving Force Dependence of Photoinduced Electron Transfers

Larson, S. L., Elliott, C. Michael, Kelley, D. F.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.19 MB

english, 1995

10

Calculation of the Weights of Resonance Structures of Molecules in Solution

Parrondo, Ramon M., Karafiloglou, Padeleimon, Pappalardo, Rafael R., Sanchez Marcos, Enrique

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 865 KB

english, 1995

11

Rate Constant Determinations for HBO + F Channels from ab Initio Reaction Path Calculations

Soto, Maribel R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 909 KB

english, 1995

12

Low-Temperature Hydrogenation of Cyclohexene by Energetic Forms of Hydrogen on the Ni(100) Surface

Son, Kyung-Ah, Mavrikakis, Manos, Gland, John L.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 377 KB

english, 1995

13

The Role of Surface Defects in the Photooxidation of Iodide at n-MoSe2: Evidence for a Local "Autocatalytic" Effect

Chaparro, A. M., Salvador, P., Peter, L. M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.78 MB

english, 1995

14

Combining Molecular Mechanics with Quantum Treatments for Large Conjugated Hydrocarbons. 2. A Geometry-Dependent Heisenberg Hamiltonian

Treboux, Gabin, Maynau, Daniel, Malrieu, Jean Paul

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 774 KB

english, 1995

15

Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal

Materer, N., Starke, U., Barbieri, A., van Hove, M, Somorjai, G. A., Kroes, G J., Minot, C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.22 MB

english, 1995

16

The Role of AlCl3 and Al2Cl6 in the Catalyzed Decomposition of Organic Halides

Jasien, Paul G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 728 KB

english, 1995

17

Scanning Tunneling Microscopy Studies of Solvent Effects on the Adsorption and Mobility of Triacontane/Triacontanol Molecules Adsorbed on Graphite

Venkataraman, Bhawani, Breen, John J., Flynn, George W.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 5.20 MB

english, 1995

18

Thermodynamics of the Electron and the Proton [Erratum to document cited in CA121:19495]

Bartmess, John E.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 70 KB

english, 1995

19

Magnetic Molecules in Matrixes

Weltner, W., Van Zee, R. J., Li, S.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.02 MB

english, 1995

20

Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers. 2. 4-Aminopyridine and 4-Aminopyrimidine Complexes with H2O in Ar Matrixes

Smets, Johan, Adamowicz, Ludwik, MAES, Guido

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.21 MB

english, 1995

21

Influence of "Inert" Counterions on the Photochemistry of Some Cationic Polymethine Dyes

Tatikolov, A. S., Dzhulibekov, Kh. S., Shvedova, L. A., Kuzmin, V. A., Ishchenko, A. A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 604 KB

english, 1995

22

A Theoretical Study of the Proton-Bound Ammonia Dimer

Platts, James A., Laidig, Keith E.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 722 KB

english, 1995

23

Theoretical Study of CH.cntdot..cntdot..cntdot.O Hydrogen Bonds in H2O-CH3F, H2O-CH2F2, and H2O-CHF3

Alkorta, Ibon, Maluendes, Sergio

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 846 KB

english, 1995

24

Primary Photochemical Processes of Anthracene Adsorbed on Silica Gel

Wilkinson, F., Worrall, D. R., Williams, S. L.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 772 KB

english, 1995

25

Shock-Initiated Chemistry of Energetic Materials

Sakata, Jill, Wight, Charles A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.17 MB

english, 1995

26

SERS Spectra of Polythiophene in Doped and Undoped States

Bazzaoui, E. A., Levi, G., Aeiyach, S., Aubard, J., Marsault, J. P., Lacaze, P. C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.10 MB

english, 1995

27

Aerosol-OT Reversed Micellar Formation at Low Water-Surfactant Ratio Studied by Synchrotron Radiation Small-Angle X-ray Scattering

Hirai, Mitsuhiro, Kawai-Hirai, Rika, Takizawa, Toshiharu, Yabuki, Sadato, Nakamura, Kozo, Hirai, Toshihiro, Kobayashi, Katsumi, Amemiya, Yoshiyuki, Oya, Masanao

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 778 KB

english, 1995

28

Reactions of Laser Ablated Titanium, Zirconium, and Hafnium Atoms with Oxygen Molecules in Condensing Argon

Chertihin, George V., Andrews, Lester

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.10 MB

english, 1995

29

Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study

Kudo, Hiroshi, Hashimoto, Masashi, Yokoyama, Keiichi, Wu, C. H., Dorigo, Andrea E., Bickelhaupt, F. Matthias, von Schleyer, Paul

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 692 KB

english, 1995

30

Monoclinic .tautm. Hexagonal Phase Transition in Hydroxyapatite Studied by X-ray Powder Diffraction and Differential Scanning Calorimeter Techniques

Suda, Hiroyuki, Yashima, Masatomo, Kakihana, Masato, Yoshimura, Masahiro

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 338 KB

english, 1995

31

Dipole Moment and Optical Anisotropy Studies of Mesogenic Twin Compounds, .alpha.,.omega.-Bis[(4,4'-cyanobiphenyl)oxy]alkanes

Furuya, Hidemine, Okamoto, Satoshi, Abe, Akihiro, Petekidis, George, Fytas, George

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 480 KB

english, 1995

32

Light-Scattering Studies of Simple Molecular Supercooled Liquids: Structural Considerations

Zhao, Xiaolin, Kivelson, Daniel

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.29 MB

english, 1995

33

Frequency-dependent optical constants of water ice obtained directly from aerosol extinction spectra

Clapp, M. L., Worsnop, D. R., Miller, R. E.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.20 MB

english, 1995

34

Theoretical Studies of Possible Processes for the Interstellar Production of Phosphorus Compounds. The Reaction of P+ with Acetylene

Largo, Antonio, Barrientos, Carmen, Lopez, Xabier, Cossio, Fernando P., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1001 KB

english, 1995

35

Observation of Ultrafast Energy Transfer from the Accessory Bacteriochlorophylls to the Special Pair in Photosynthetic Reaction Centers

Jia, Yiwei, Jonas, David M., Joo, Taiha, Nagasawa, Yutaka, Lang, Matthew J., Fleming, Graham R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 513 KB

english, 1995

36

Ribonuclease A catalyzed transphosphorylation: An ab initio theoretical study

Wladkowski, Brian D., Krauss, Morris, Stevens, Walter J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.12 MB

english, 1995

37

Position-Dependent Deuteration Effects on the Nonradiative Decay of the 3MLCT State of Tris(bipyridine)ruthenium (II). An Experimental Evaluation of Radiationless Transition Theory

Maruszewski, Krzysztof, Bajdor, Krzysztof, Strommen, Dennis P., Kincaid, James R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 952 KB

english, 1995

38

Gas Phase Synthesis, Structure, and Dissociation of Boron Triazide

Mulinax, R. L., Okin, G. S., Coombe, R. D.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 825 KB

english, 1995

39

Nuclear- and Electron-Spin Relaxation Rates in Symmetrical Iron, Manganese, and Gadolinium Ions

Sur, Sandip K., Bryant, Robert G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 972 KB

english, 1995

40

Polarization Spectroscopy and ab Initio Study of Photooriented Matrix-Isolated Isotopomers of Phthalic Anhydride. Assignment of the Infrared Absorption Spectrum

Biernacki, Peter R., Kaszynski, Piotr, Hess, B. Andes, Thulstrup, Erik W., Radziszewski, Juliusz G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 927 KB

english, 1995

41

Dependence of an Acoustically Nonresonant Intracavity Photoacoustic Signal on Sample and Buffer Gas Pressure

Schattka, Bernhard J., Turnbull, David M., Kjaergaard, Henrik G., Henry, Bryan R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 623 KB

english, 1995

42

Laser-Induced Infrared Photofragmentation of SF6.cntdot.(C6H6)n+ Cluster Ions

Jones, A. B., Lopez-Martens, R., Stace, A. J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.22 MB

english, 1995

43

Experimental and Theoretical Studies of Co(CH4)x+ with x = 1-4

Haynes, Chris L., Armentrout, P. B., Perry, Jason K., Goddard, William A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 860 KB

english, 1995

44

Application of Time-Dependent Raman Theory to Raman Excitation Profiles of Hexamethylbenzene-Tetracyanoethylene Electron Donor-Acceptor Complex

Britt, B. Mark, McHale, Jeanne L., Friedrich, Donald M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.01 MB

english, 1995

45

Collision Processes of Size-Selected Cluster Anions, (C6F6)n- (n = 1-5), with a Silicon Surface

Tsukuda, Tatsuya, Yasumatsu, Hisato, Sugai, Toshiki, Terasaki, Akira, Nagata, Takashi, Kondow, Tamotsu

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.37 MB

english, 1995

46

Coupled-Cluster Based Linear Response Approach to Property Calculations: Dynamic Polarizability and Its Static Limit

Datta, B., Sen, P., Mukherjee, D.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.10 MB

english, 1995

47

Dynamic Properties of SDS Micelle Detected with "Radical-Pair-Probe" Using the Pulse-Mode Product-Yield-Detected ESR Technique

Okazaki, Masaharu, Polyakov, Nikolai E., Toriyama, Kazumi

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 559 KB

english, 1995

48

Garnet Crystal Structures. An ab Initio Perturbed Ion Study

Beltran, A., Andres, J., Igualada, J. A., Carda, J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 956 KB

english, 1995

49

Laplacians of Fullerenes (C42-C90)

Balasubramanian, K.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.13 MB

english, 1995

50

Formation and Reactivity of the Radical Cation of Bromobenzene in Aqueous Solution: A Pulse Radiolysis Study

Mohan, Hari, Mittal, Jai P.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 731 KB

english, 1995

51

CHN2-: A Biradical Anion and a Potentially New Type of Reactive Intermediate

Gordon, Mark S., Kass, Steven R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 799 KB

english, 1995

52

Gas-Phase Reactivity of Hydroxylamine toward Charged Electrophiles. A Mass Spectrometric and Computational Study of the Protonation and Methylation of H2NOH

Angelelli, F., Aschi, M., Cacace, F., Pepi, F., de Petris, G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 599 KB

english, 1995

53

The quasi-ballistic model of electron mobility in liquid hydrocarbons: application to electron scavenging

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 672 KB

english, 1995

54

Solvent Influences on Electron-Transfer Reactions

Drago, Russell S., Ferris, Donald C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 827 KB

english, 1995

55

Atmospheric Chemistry of 1,1,1-Trichloroethane: UV Spectra and Self-Reaction Kinetics of CCl3CH2 and CCl3CH2O2 Radicals, Kinetics of the Reactions of the CCl3CH2O2 Radical with NO and NO2, and the Fate of the Alkoxy Radical CCl3CH2O

Platz, Jesper, Nielsen, Ole J., Sehested, Jens, Wallington, Timothy J.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.11 MB

english, 1995

56

Growth and Decay of Pb(7s 3P10) and Pb(7s 3P00) from the 193 nm Photodissociation of PbI2 and PbBr2

McClean, Roy E., Simons, John W., Drake, Lawrence R., Oldenborg, Richard C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 430 KB

english, 1995

57

Theoretical Study of H(D) + N2O: Effects of Pressure, Temperature, and Quantum-Mechanical Tunneling on H(D)-Atom Decay and OH(D)-Radical Production

Diau, Eric W. G., Lin, M. C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 612 KB

english, 1995

58

New Perspective on the Kinetics of Enzyme Catalysis

Happel, John, Sellers, Peter H.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 756 KB

english, 1995

59

Gas-phase reactions of HO2-.cntdot.CO2 with molecular species of possible atmospheric interest

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

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 492 KB

english, 1995

60

Thermally Activated Hole Filling of Dye and Dye-Oligonucleotide Doped into Polymer Films

Chang, Ta-Chau, Chiang, Chien-Chih, Chou, Shiow-Hwa, Peck, Konan

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 881 KB

english, 1995

61

Effect of Amino Acid Residue Model on the Photoinduced Long-Distance Electron Transfer from the Excited Ru(bpy)32+ to Methylviologen in a Polymer Film

Nagai, Keiji, Tsukamoto, Jiro, Takamiya, Nobuo, Kaneko, Masao

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 470 KB

english, 1995

62

Deuterium NMR Investigation of a Discotic Mesogen Based on Hexasubstituted Truxene

Sandstroem, D., Nygren, M., Zimmermann, H., Maliniak, A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1002 KB

english, 1995

63

Nickel(I) Location and Adsorbate Interactions in Nickel(II)-Exchanged Silicoaluminophosphate Type 5 As Determined by Electron Spin Resonance and Electron Spin Echo Modulation Spectroscopies

Azuma, Naoto, Hartmann, Martin, Kevan, Larry

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 727 KB

english, 1995

64

Resonant Tunneling Bands and Electrochemical Reduction Potentials

Mazur, Ursula, Hipps, K. W.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 630 KB

english, 1995

65

Cluster Formation in Sodium-Doped Zeolite Y: Ab-Initio Simulation Study

Ursenbach, C. P., Madden, P. A., Stich, I., Payne, M. C.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 6.22 MB

english, 1995

66

Conductometric Study of Triple Ion Formation by Hydrogen Bonding Forces from Trialkylammonium Halides in Benzonitrile at Various Temperatures

Hojo, Masashi, Hasegawa, Hiroshi, Morimoto, Yasuhiro

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 694 KB

english, 1995

67

Acoustophoresis Revisited. 1. Electrolyte Solutions

Vidal, S. Durand, Simonin, J. P., Turq, P., Bernard, O.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 571 KB

english, 1995

68

QSPR and GCA Models for Predicting the Normal Boiling Points of Fluorocarbons

Le, Thao D., Weers, Jeffry G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.63 MB

english, 1995

69

Aqueous Acceleration of the Claisen Rearrangement of Allyl Vinyl Ether: A Hybrid, Explicit Solvent, and Continuum Model

Davidson, Mark M., Hillier, Ian H.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 453 KB

english, 1995

70

Infrared Spectroscopy in Highly Quantum Matrixes: Vibrational Spectrum of (SF6)n=1,2 Attached to Helium Clusters [Erratum to document cited in CA118:134971]

Goyal, S., Schutt, D. L., Scoles, G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 70 KB

english, 1995

71

Structural Identification of Intermediate Aluminum Species in USY Zeolites Using High-Resolution and Spin-Lattice Relaxation 27Al NMR. [Erratum to document cited in CA122:65446]

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 53 KB

english, 1995

72

FORS MCSCF Study on Nitrenophenylmethylene (C6H4CHN). [Erratum to document cited in CA122:9204]

Koseki, Shiro, Tomioka, Hideo, Toyota, Azumao

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 53 KB

english, 1995

73

Characterization of the Photoreceptor of Stenor coeruleus by Surface-Enhanced Resonance Raman Scattering Spectroscopy. [Erratum to document cited in CA122:101968]

Wynn, Jeanne L., Kim, Jae-Ho, Tao, Nengbing, Dai, Renke, Song, Pill-Soon, Cotton, Therese M.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 53 KB

english, 1995

74

Thermodynamics of Multicomponent, Miscible, Ionic Solutions. 2. Mixtures Including Unsymmetrical Electrolytes. [Erratum to document cited in CA 117(22):221099a]

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

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 70 KB

english, 1995