Volume 106; Issue 17

Journal of Physical Chemistry A

Volume 106; Issue 17

1

On the Bonding Nature of the N 5+ (=N(N 2 ) 2+ ) Cation and Related Species N(CO) x + , N(NH 3 ) x + , and NR x + , x = 1, 2 and R = He, Ne, Ar, Kr. Do We Really Need the Resonance Concept?

Kerkines, Ioannis S. K., Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

2

Oxidative Degradation of Benzene in the Troposphere. Theoretical Mechanistic Study of the Formation of Unsaturated Dialdehydes and Dialdehyde Epoxides

Motta, Federica, Ghigo, Giovanni, Tonachini, Glauco

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 350 KB

english, 2002

3

Some Complexities in the Reaction of Hydrogen Atoms Generated in H 2 Discharge with Molecular Chlorine

Dobis, Otto, Benson, Sidney W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

4

The Interaction of Benzene with Chloro- and Fluoromethanes: Effects of Halogenation on CH/π Interaction

Tsuzuki, Seiji, Honda, Kazumasa, Uchimaru, Tadafumi, Mikami, Masuhiro, Tanabe, Kazutoshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 83 KB

english, 2002

5

Allyl-A Model System for the Chemical Dynamics of Radicals

Fischer, Ingo, Chen, Peter

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 161 KB

english, 2002

6

Internal Methyl Rotation in the CH Stretching Overtone Spectra of 2-, 3-, and 4-Methylpyridine

Rong, Zimei, Kjaergaard, Henrik G., Henry, Bryan R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

7

Theoretical Study of the Thermolysis Reaction of Ethyl β-Hydroxycarboxylates in the Gas Phase

Notario, Rafael, Quijano, Jairo, Quijano, J. Camilo, Gutiérrez, Luisa P., Suárez, Wilmar A., Sánchez, Claudia, León, Luis A., Chamorro, Eduardo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 77 KB

english, 2002

8

Vibronic Resonances Arising from Conically Intersecting Electronic States

Friedman, Ronald S., Podzielinski, Iwona, Cederbaum, Lorenz S., Ryaboy, Victor M., Moiseyev, Nimrod

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 233 KB

english, 2002

9

Kinetics of OH Radical Reactions with Methane in the Temperature Range 295−660 K and with Dimethyl Ether and Methyl- tert -butyl Ether in the Temperature Range 295−618 K

Bonard, Amélie, Daële, Véronique, Delfau, Jean-Louis, Vovelle, Christian

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 114 KB

english, 2002

10

Potential Energy Surfaces and Dynamical Behavior of Two Rigidly Linked Bichromophoric Molecules Studied by CASSCF Computations and Ab Initio Classical Trajectory Simulations

Jolibois, Franck, Bearpark, Michael J., Robb, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 209 KB

english, 2002

11

Effect of Pressure on Proton-Transfer Rate from a Photoacid to Ethanol Solution

Koifman, Nahum, Cohen, Boiko, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 100 KB

english, 2002

12

Formation of Three C 4 H 3 N Isomers from the Reaction of CN (X 2 Σ + ) with Allene, H 2 CCCH 2 (X 1 A 1 ), and Methylacetylene, CH 3 CCH (X 1 A 1 ): A Combined Crossed Beam and Ab Initio Study

Balucani, N., Asvany, O., Kaiser, R.-I., Osamura, Y.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 346 KB

english, 2002

13

Ultrafast Energy Transfer in Binuclear Ruthenium−Osmium Complexes as Models for Light-harvesting Antennas

Baudin, Helena Berglund, Davidsson, Jan, Serroni, Scolastica, Juris, Alberto, Balzani, Vincenzo, Campagna, Sebastiano, Hammarström, Leif

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 120 KB

english, 2002

14

Estimating Molecular Electronic Chemical Potential and Hardness from Fragments' Addition Schemes

Sengupta, Santanu, Toro-Labbé, Alejandro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 40 KB

english, 2002

15

Electron-Transfer (ET) Fluorescence Quenching in Benzonitrile. Evidence of an Intermolecular ET with Δ G < −0.5 eV being a Diffusion-Controlled Process

Inada, Taeko, Kikuchi, Koichi, Takahashi, Yasutake, Ikeda, Hiroshi, Miyashi, Tsutomu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 62 KB

english, 2002

16

Theoretical Investigation of the Structure and Vibrational Spectrum of the Electronic Ground State X̃( 1 A‘) of HSiCl

Vázquez, J., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 60 KB

english, 2002

17

Evidence for Low-Volatility Diacyl Peroxides as a Nucleating Agent and Major Component of Aerosol Formed from Reactions of O 3 with Cyclohexene and Homologous Compounds

Ziemann, Paul J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 209 KB

english, 2002

18

Theoretical Study of the Metal Oxidation Reaction Ti + O 2 → TiO + O: Ab Initio Calculation of the Potential Energy Surface and Classical Trajectory Analysis

Sakurai, Hideo, Kato, Shigeki

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002