Volume 107; Issue 8

Journal of Physical Chemistry A

Volume 107; Issue 8

1

Photochemical Studies of CH 3 C(O)OONO 2 (PAN) and CH 3 CH 2 C(O)OONO 2 (PPN): NO 3 Quantum Yields

Harwood, Matthew H., Roberts, James M., Frost, Gregory J., Ravishankara, A. R., Burkholder, James B.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 87 KB

english, 2003

2

Effect of Temperature and Concentration on Self-Association of Octan-3-ol Studied by Vibrational Spectroscopy and Dielectric Measurements

Czarnecki, Mirosław A., Orzechowski, Kazimierz

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 162 KB

english, 2003

3

The Formation of CCBO and [CCBO] + from [CCBO] - in the Gas Phase: A Joint Experimental and Theoretical Study

McAnoy, Andrew M., Dua, Suresh, Schröder, Detlef, Bowie, John H., Schwarz, Helmut

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 173 KB

english, 2003

4

Decatungstate Photocatalyzed Electron-Transfer Reactions of Alkenes. Interception of the Geminate Radical Ion Pair by Oxygen

Tanielian, Charles, Seghrouchni, Rachid, Schweitzer, Claude

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 205 KB

english, 2003

5

Theoretical Study of Hydration of Cyanamide and Carbodiimide

Tordini, Francesco, Bencini, Alessandro, Bruschi, Maurizio, De Gioia, Luca, Zampella, Giuseppe, Fantucci, Piercarlo

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 480 KB

english, 2003

6

Kinetics of Hydrogen Abstraction Reaction Class H + H−C(sp 3 ): First-Principles Predictions Using the Reaction Class Transition State Theory

Zhang, Shaowen, Truong, Thanh N.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 139 KB

english, 2003

7

Spectral Simulation of the ESR Spectra of Polyphenol Radicals Formed by Reaction with Hydroxyl Radical

Yoshioka, Hisashi, Ohashi, Yasunori, Fukuda, Hiroshi, Senba, Yasushi, Yoshioka, Hiroe

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 210 KB

english, 2003

8

Locating Electronic Degeneracies of Polyatomic Molecules: A General Method for Nonsymmetric Molecules

Zilberg, S., Haas, Y.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 68 KB

english, 2003

9

Photoactive Yellow Protein, A New Type of Photoreceptor Protein: Will This “Yellow Lab” Bring Us Where We Want to Go? ‖

Hellingwerf, Klaas J., Hendriks, Johnny, Gensch, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 301 KB

english, 2003

10

Hydrogen Trioxide Anion: A Possible Atmospheric Intermediate and Path to Oxygen-Rich Molecules

Elliott, Ben, Alexandrova, Anastassia N., Boldyrev, Alexander I.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 81 KB

english, 2003

11

Vibrational and Electronic Spectroscopy of Sulfuric Acid Vapor

Hintze, Paul E., Kjaergaard, Henrik G., Vaida, Veronica, Burkholder, James B.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 87 KB

english, 2003

12

HOSO 2 −H 2 O Radical Complex and Its Possible Effects on the Production of Sulfuric Acid in the Atmosphere

Aaltonen, Eric T., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 421 KB

english, 2003

13

Cation−π Interactions: A Theoretical Investigation of the Interaction of Metallic and Organic Cations with Alkenes, Arenes, and Heteroarenes

Kim, Dongwook, Hu, Shaowen, Tarakeshwar, P., Kim, Kwang S., Lisy, James M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 175 KB

english, 2003

14

Front Propagation in Patterned Precipitation. 2. Electric Effects in Precipitation−Dissolution Patterning Schemes

Al-Ghoul, M., Sultan, R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

15

Effect of Pentanol and Salt on the Fusion−Scission Kinetics for CTAB Micelles

Michels, Bernard, Waton, Gilles

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 70 KB

english, 2003

16

Theoretical Thermochemistry: Ab Initio Heat of Formation for Hydroxylamine

Saraf, S. R., Rogers, W. J., Mannan, M. S., Hall, M. B., Thomson, L. M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 53 KB

english, 2003

17

Modeling of a Rotaxane-Based Molecular Device

Zheng, Xiange, Sohlberg, Karl

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 174 KB

english, 2003

18

Pyrolysis Chemistry of Cubane and Methylcubane: The Effect of Methyl Substitution on Stability and Product Branching

Li, Zhi, Anderson, Scott L.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 227 KB

english, 2003

19

Experimental Study of SO 2 Formation in the Reactions of CH 3 SO Radical with NO 2 and O 3 in Relation with the Atmospheric Oxidation Mechanism of Dimethyl Sulfide

Borissenko, Dmitri, Kukui, Alexander, Laverdet, Gérard, Le Bras, Georges

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 115 KB

english, 2003

20

Cope Rearrangement of 1,5-Hexadiene: Full Geometry Optimizations Using Analytic MR-CISD and MR-AQCC Gradient Methods

Ventura, Elizete, Andrade do Monte, Silmar, Dallos, Michal, Lischka, Hans

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

21

Structural Aspects of Donor−Acceptor Interactions

Horváth, Viktória, Kovács, Attila, Hargittai, István

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 110 KB

english, 2003