Volume 109; Issue 2

Journal of Physical Chemistry A

Volume 109; Issue 2

1

Selectivity Descriptors for the Michael Addition Reaction as Obtained from Density Functional Based Approaches

Madjarova, G., Tadjer, A., Cholakova, Tz. P., Dobrev, A. A., Mineva, T.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 235 KB

english, 2005

2

Time-Resolved Study of the Oxidation of Ethanol by Cerium(IV) Using Combined Quick-XANES, UV−Vis, and Raman Spectroscopies

Briois, V., Lützenkirchen-Hecht, D., Villain, F., Fonda, E., Belin, S., Griesebock, B., Frahm, R.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 530 KB

english, 2005

3

Solvation Structure of Hydroxyl Radical by Car−Parrinello Molecular Dynamics

Khalack, Julia M., Lyubartsev, Alexander P.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 387 KB

english, 2005

4

Dehydrogenation of Ethylbenzene with Nitrous Oxide in the Presence of Mesoporous Silica Materials Modified with Transition Metal Oxides

Kuśtrowski, Piotr, Chmielarz, Lucjan, Dziembaj, Roman, Cool, Pegie, Vansant, Etienne F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 140 KB

english, 2005

5

Resolution of Three Fluorescence Components in the Spectra of all- trans -1,6-Diphenyl-1,3,5-hexatriene under Isopolarizability Conditions 1

Turek, Andrzej M., Krishnamoorthy, Govindarajan, Sears, Donald F., Garcia, Ivelitza, Dmitrenko, Olga, Saltiel, Jack

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 268 KB

english, 2005

6

Reactions of Cu + ( 1 S, 3 D) with CH 3 Cl, CH 2 ClF, CHClF 2 , and CClF 3

Taylor, William S., Matthews, Cullen C., Parkhill, Kristin S.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 207 KB

english, 2005

7

On the Titanium Oxide Neutral Cluster Distribution in the Gas Phase: Detection through 118 nm Single-Photon and 193 nm Multiphoton Ionization

Matsuda, Yoshiyuki, Bernstein, Elliot R.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 101 KB

english, 2005

8

Atmospheric Chemistry of Hydrofluoroethers: Reaction of a Series of Hydrofluoroethers with OH Radicals and Cl Atoms, Atmospheric Lifetimes, and Global Warming Potentials

Oyaro, Nathan, Sellevåg, Stig R., Nielsen, Claus J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 129 KB

english, 2005

9

Ultrafast Dynamics of Single-Walled Carbon Nanotubes Dispersed in Polymer Films

Styers-Barnett, David J., Ellison, Stephen P., Park, Cheol, Wise, Kristopher E., Papanikolas, John M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

10

Molecular Structure and Internal Rotation in 2,3,5,6-Tetrafluoroanisole as Studied by Gas-Phase Electron Diffraction and Quantum Chemical Calculations

Belyakov, Alexander V., Kieninger, Martina, Cachau, Raul E., Ventura, Oscar N., Oberhammer, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 135 KB

english, 2005

11

Comparative Density Functional Theory Study of the Binding of Ligands to Cu + and Cu 2+ : Influence of the Coordination and Oxidation State

Ducéré,, Jean-Marie, Goursot, Annick, Berthomieu, Dorothée

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 144 KB

english, 2005

12

A Kinetic and Mechanistic Study of the Reactions of OH Radicals and Cl Atoms with 3,3,3-Trifluoropropanol under Atmospheric Conditions

Kelly, Tanya, Bossoutrot, Valérie, Magneron, Isabelle, Wirtz, Klaus, Treacy, Jack, Mellouki, Abdelwahid, Sidebottom, Howard, Le Bras, Georges

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

13

PCM Study of the Solvent and Substituent Effects on the Conformers, Intramolecular Hydrogen Bonds and Bond Dissociation Enthalpies of 2-Substituted Phenols

Lithoxoidou, Alexandra T., Bakalbassis, Evangelos G.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 271 KB

english, 2005

14

Ionic Fragmentation on ClC(O)SCl. Evidence of a Highly Charged Molecular Ion and Confirmation of Unusual Dissociation Mechanisms for Halocarbonylsulfenyl Chlorides

Erben, Mauricio F., Romano, Rosana M., Della Védova, Carlos O.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 344 KB

english, 2005

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