Volume 103; Issue 33

Journal of Physical Chemistry A

Volume 103; Issue 33

1

Spatial and Electronic Structure of Highly Basic Organic Molecules: Cyclopropeneimines and Some Related Systems

Maksić, Zvonimir B., Kovačević, Borislav

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

2

Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O 2 . Infrared Spectra and Density Functional Calculations of the MO, MO + , MO 2 , MO 2+ , and MO 2- Species in Solid Argon

Andrews, Lester, Zhou, Mingfei, Chertihin, George V., Bauschlicher, Charles W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 202 KB

english, 1999

3

A Gaussian-2 Quantum Chemical Study of CHNO: Isomerization and Molecular Dissociation Reactions

Shapley, Warwick A., Bacskay, George B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 353 KB

english, 1999

4

Energy Increment Method Based on Quantum Chemical Results: A General Recipe for Approximative Prediction of Isomerization and Tautomerization Energies of Pyrimidine and Purine Nucleic Acid Bases and Related Compounds

Ha, Tae-Kyu, Keller, Hans-J., Gunde, Rok, Gunthard, Hans-H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 265 KB

english, 1999

5

Production of HCl in the OH + ClO Reaction: Laboratory Measurements and Statistical Rate Theory Calculations

Lipson, Jennifer B., Beiderhase, Thomas W., Molina, Luisa T., Molina, Mario J., Olzmann, Matthias

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 151 KB

english, 1999

6

Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

Lahorte, Philippe, De Proft, Frank, Vanhaelewyn, Gauthier, Masschaele, Bert, Cauwels, Peter, Callens, Freddy, Geerlings, Paul, Mondelaers, Wim

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

7

S 1 −S 0 Internal Conversion in Ketene. 1. The Role of Conical Intersections

Yarkony, David R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 175 KB

english, 1999

8

Transition Scenarios during the Evolution of the Belousov−Zhabotinsky Reaction in an Unstirred Batch Reactor

Rustici, Mauro, Caravati, Carlo, Petretto, Enrico, Branca, Mario, Marchettini, Nadia

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 161 KB

english, 1999

9

Aromatic Character of [ n ]Helicenes and [ n ]Phenacenes

Schulman, Jerome M., Disch, Raymond L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

10

Ab Initio Study of the Reaction of NO 3 with the OH Radical

Jitariu, Luminita C., Hirst, David M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

11

The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution

Kim, Yongho, Lim, Sangbae, Kim, Yangsoo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 139 KB

english, 1999

12

Structural and Conformational Dependence of Optical Rotation Angles

Kondru, Rama K., Wipf, Peter, Beratan, David N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

13

Laser Flash Photolysis Investigation of the Triplet−Triplet Annihilation of Anthracene in Supercritical Water

Kremer, Mary J., Connery, Karen A., DiPippo, Matthew M., Feng, Junbo, Chateauneuf, John E., Brennecke, Joan F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 98 KB

english, 1999

14

Electronic Energy Transfer in Multichromophoric Arrays. A Sequential and Superexchange Dynamics Study

Yeow, Edwin K. L., Haines, David J., Ghiggino, Kenneth P., Paddon-Row, Michael N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 108 KB

english, 1999

15

Transients of the Oxidation of Pyrimidines with SO 4•- : Structure and Reactivity of the Resulting Radicals

Lomoth, R., Naumov, S., Brede, O.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 220 KB

english, 1999

16

Reduction of NO with CH 4 Effected by Copper Oxide Clusters in the Channels of ZSM-5

Huang, Y.-J., Wang, H. Paul

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 48 KB

english, 1999

17

Measurements of Primary Radical Concentrations Generated by Pulsed Laser Photolysis Using Fluorescence Detection

Moad, Graeme, Shipp, Devon A., Smith, Trevor A., Solomon, David H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

18

Peroxynitrous Acid Decomposes via Homolysis: Evidence from High-Pressure Pulse Radiolysis

Goldstein, Sara, Meyerstein, Dan, van Eldik, Rudi, Czapski, Gidon

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 49 KB

english, 1999

19

Dissociative Recombination of H 3 O +

Ketvirtis, Anthony E., Simons, Jack

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 329 KB

english, 1999

20

Magnetic Circular Dichroism of C 60+ and C 60- Radicals in Argon Matrixes

Langford, Vaughan S., Williamson, Bryce E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 99 KB

english, 1999

21

Diffusion and Structure in Water−Alcohol Mixtures: Water + tert -Butyl Alcohol (2-Methyl-2-Propanol)

Harris, Kenneth R., Newitt, Paula J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

22

Determination of the Structure of the 1,2,4,7- a nti -Tetramethyl-2-norbornyl Cation: An AIM Study

Muchall, Heidi M., Werstiuk, Nick H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

23

Conformations and Barriers of Haloethyl Radicals (CH 2 XCH 2 , X = F, Cl, Br, I): Ab Initio Studies

Ihee, Hyotcherl, Zewail, Ahmed H., Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 169 KB

english, 1999

24

Photoexcitation, Ionization, and Dissociation of Molecules Using Intense Near-Infrared Radiation of Femtosecond Duration

Levis, Robert J., DeWitt, Merrick J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 212 KB

english, 1999