Volume 103; Issue 11

Journal of Physical Chemistry A

Volume 103; Issue 11

1

Theoretical Study of X−H Bond Energetics (X = C, N, O, S): Application to Substituent Effects, Gas Phase Acidities, and Redox Potentials

Pratt, D. A., LoFaro, A. D., Wright, J. S., DiLabio, G. A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

2

Molecular Structure of the Aluminum Halides, Al 2 Cl 6 , AlCl 3 , Al 2 Br 6 , AlBr 3 , and AlI 3 , Obtained by Gas-Phase Electron-Diffraction and ab Initio Molecular Orbital Calculations

Aarset, Kirsten, Shen, Quang, Thomassen, Hanne, Richardson, Alan D., Hedberg, Kenneth

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 246 KB

english, 1999

3

Hydrogen Peroxide Production in the Radiolysis of Water with Heavy Ions

Pastina, Barbara, LaVerne, Jay A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 63 KB

english, 1999

4

Effect of Basis Set Superposition Error on the Water Dimer Surface Calculated at Hartree−Fock, Møller−Plesset, and Density Functional Theory Levels

Simon, Sílvia, Duran, Miquel, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 79 KB

english, 1999

5

The Thermal Decomposition of 1,2-Dioxetane Revisited

Wilsey, Sarah, Bernardi, Fernando, Olivucci, Massimo, Robb, Michael A., Murphy, Sean, Adam, Waldemar

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 173 KB

english, 1999

6

Transition State Resonances in the Reaction Cl + H 2 → HCl + H

Srinivasan, Jay, Allison, Thomas C., Schwenke, David W., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 283 KB

english, 1999

7

Time-Resolved Emission Studies of Intermolecular Triplet Excimers in Fluid Solutions: Dibenzofuran and Dibenzothiophene Revisited

Wang, Xiaohong, Tian, Jinquian, Kofron, William G., Lim, Edward C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 202 KB

english, 1999

8

ENDOR and ESR Studies of Radical Cations of Methyl-Substituted Benzene in Halocarbon Matrices

Kadam, R. M., Itagaki, Y., Erickson, R., Lund, A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

9

Modeling with Semiempirical Molecular Connectivity Terms

Pogliani, Lionello

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

10

Conformational Studies of Cyclopropylmethylacetylene from Temperature Dependent FT-IR Spectra of Xenon Solutions and Ab Initio Calculations

Guirgis, Gamil A., Wurrey, C. J., Yu, Zhenhong, Zhu, Xiaodong, Durig, James R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 117 KB

english, 1999

11

Rotational Coherence Spectroscopy and Structure of Naphthalene Trimer

Benharash, Peyman, Gleason, Michael J., Felker, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 55 KB

english, 1999

12

Cluster Ion Formation from Alcohol Solutions of CaI 2

Kohno, Jun-ya, Mafuné, Fumitaka, Kondow, Tamotsu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 70 KB

english, 1999

13

Ab Initio Calculations on Uracil−Water

van Mourik, Tanja, Price, Sarah L., Clary, David C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

14

Density Functional Theory Investigation of the Electronic Structure and Spin Density Distribution in Peroxyl Radicals

Raiti, Michael J., Sevilla, Michael D.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 186 KB

english, 1999

15

Fluorescence of 2,3-Diazabicyclo[2.2.2]oct-2-ene Revisited: Solvent-Induced Quenching of the n,π*-Excited State by an Aborted Hydrogen Atom Transfer

Nau, Werner M., Greiner, Gerhard, Rau, Hermann, Wall, Julia, Olivucci, Massimo, Scaiano, J. C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

16

Electrochemical Reduction of Bisulfite in Mildly Acidic Buffers: Kinetics of Sulfur Dioxide−Bisulfite Interconversion

Tolmachev, Yuriy V., Scherson, Daniel A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 81 KB

english, 1999

17

A Gas-Phase Basicity Scale for Selenocarbonyl Compounds Based on High-Level ab Initio and Density Functional Theory Calculations

González, Ana I., Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

18

Photoionization Spectroscopy of KAu and NaAu Diatomics

Stangassinger, A., Knight, A. M., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

19

Hydrogen Stretching Vibrational Circular Dichroism in Methyl Lactate and Related Molecules

Gigante, Denise M. P., Long, Fujin, Bodack, Louise A., Evans, Jeffrey M., Kallmerten, James, Nafie, Laurence A., Freedman, Teresa B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 638 KB

english, 1999

20

Ab Initio and MM3 Studies of the Conformational Structures of Naphthalene Trimer: Comparison with Experiment

Gonzalez, Carlos, Lim, Edward C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 71 KB

english, 1999

21

Gas-Phase Chemistry of Vanadium Oxide Cluster Cations 3. Reactions with CCl 4

Bell, R. C., Zemski, K. A., Castleman, A. W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 98 KB

english, 1999

22

Editor's Comments on “Hydrogen Bonding at Aerosol Interface” by Jian-Xiang Zhang, Denise Aiello, and Pamela M. Aker, J. Phys. Chem. 1995 , 99 , 721.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 6 KB

english, 1999

23

Spectral Analysis and Photofragmentation Dynamics of the Perdeuteromethoxy Radical

Applegate, Brian E., Pushkarsky, Michael B., Miller, Terry A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

24

Surface Stoichiometry of Ionic Surfactants at Interfaces: A New Thermodynamic Model

Berlot, Isabelle, Labbé, Pierre, Letellier, Pierre, Moutet, Jean-Claude, Segal, David

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 63 KB

english, 1999

25

Nitric/Nitrous Acid Equilibria in Supercritical Water

Chlistunoff, Jerzy, Ziegler, Kirk J., Lasdon, Leon, Johnston, Keith P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 150 KB

english, 1999

26

Geometry and Electronic Structure of Titanacycloalkenes

Lawson, Daniel B., DeKock, Roger L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

27

Ab Initio Calculations of Monosubstituted (CH 3 OH, CH 3 SH, NH 3 ) Hydrated Ions of Zn 2+ and Ni 2+

Rulíšek, Lubomír, Havlas, Zdeněk

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

28

Solvent Effects on the Complex Formation of Benzophenone Ketyl Radical and Triethylamine

Abe, Toyohiko, Kawai, Akio, Kajii, Yoshizumi, Shibuya, Kazuhiko, Obi, Kinichi

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 73 KB

english, 1999

29

Dynamics of Endoergic Bimolecular Proton Transfer Reactions: F - + ROH → HF + RO - (R = H, CH 3 , CH 3 CH 2 , (CH 3 ) 2 CH, and (CH 3 ) 3 C)

DeTuri, Vincent F., Su, Moon A., Ervin, Kent M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

30

Resonant Fluorescence Quenching of Aromatic Hydrocarbons by Carbon Disulfide

Groenzin, Henning, Mullins, Oliver C., Mullins, William W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 105 KB

english, 1999

31

Highly Mobile Solvent Holes in Viscous Squalane Solutions As Detected by Quantum Beats and MARY Spectroscopy Techniques

Usov, Oleg M., Stass, Dmitrii V., Tadjikov, Boris M., Molin, Yuri N.

Journal:

Journal of Physical Chemistry A

Year:

1999

File:

PDF, 3 KB

1999

32

Chemical Kinetic Approach To The Mechanism Of Coupled Transport Of Cu(II) Ions Through Bulk Liquid Membranes

Szpakowska, M., B.Nagy, O.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 69 KB

english, 1999

33

NMR Relaxation Studies of the 13 CH 3 Spin Grouping in the Vicinity of the T 1 Minimum

Chenon, Marie-Thérèse, Dunkel, Reinhard, Grant, David M., Werbelow, Lawrence G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 191 KB

english, 1999

34

A Shock Tube Study of the Product Branching Ratio for the Reaction NH 2 + NO Using Frequency-Modulation Detection of NH 2

Votsmeier, M., Song, S., Hanson, R. K., Bowman, C. T.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 81 KB

english, 1999