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Volume 102; Issue 19

Journal of Physical Chemistry A

Volume 102; Issue 19

1

Spectroscopic and Theoretical Study of (CF3SO2)2N- (TFSI-) and (CF3SO2)2NH (HTFSI)

Rey, I., Johansson, P., Lindgren, J., Lassègues, J. C., Grondin, J., Servant, L.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 115 KB

english, 1998

2

Structural and Geometrical Isomerizations of Cyclopropane. Quantum Chemical and RRKM Calculations

Dubnikova, Faina, Lifshitz, Assa

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 109 KB

english, 1998

3

Electron Transition Current Density in Molecules. 2. Ab Initio Calculations for Electronic Transitions in Ethylene and Formaldehyde

Freedman, Teresa B., Gao, Xuling, Shih, Mei-Ling, Nafie, Laurence A.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 155 KB

english, 1998

4

Van Der Waals versus Hydrogen-Bonding in Complexes of Indole with Argon, Water, and Benzene by Mass-Analyzed Pulsed Field Threshold Ionization

Braun, J. E., Grebner,, Neusser, H. J.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 89 KB

english, 1998

5

Hydrogen Bonding in the Indole−Water Complex: A High Resolution UV Study of the Hydrogen Donor Conformer

Helm, R. M., Clara, M., Grebner, Th. L., Neusser, H. J.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 82 KB

english, 1998

6

Spectroscopy of Jet-Cooled Water Complexes with Coumarin 151: Observation of Vibronically Induced Conformational Barrier Crossing

Pryor, Brian A., Palmer, Phillip M., Andrews, Peter M., Berger, Mitchell B., Topp, Michael R.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 330 KB

english, 1998

7

The Lennard-Jones Function: A Quantitative Description of the Spatial Correlation of Electrons As Determined by the Exclusion Principle

Gillespie, Ronald J., Bayles, David, Platts, James, Heard, George L., Bader, R. F. W.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 207 KB

english, 1998

8

Bifurcated Hydrogen Bonding in 2-Trifluoromethylphenol Confirmed by Gas Electron Diffraction

Kovács, Attila, Hargittai, István

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 64 KB

english, 1998

9

UV Photodissociation of Matrix-Isolated Propionyl Chloride

Winter, Paul R., Rowland, Brad, Hess, Wayne P., Radziszewski, Juliusz G., Nimlos, Mark. R., Ellison, G. Barney

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 152 KB

english, 1998

10

HONO Solubility and Heterogeneous Reactivity on Sulfuric Acid Surfaces

Longfellow, C. A., Imamura, T., Ravishankara, A. R., Hanson, D. R.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 138 KB

english, 1998

11

Theoretical Study of the Reaction CH(Χ 2 Π) + NO(Χ 2 Π). 3. Determination of the Branching Ratios

Marchand, N., Rayez, J. C., Smith, S. C.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 118 KB

english, 1998

12

Characterization of the (D 2 O) 2 Hydrogen-Bond-Acceptor Antisymmetric Stretch by IR Cavity Ringdown Laser Absorption Spectroscopy

Paul, J. B., Provencal, R. A., Saykally, R. J.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 72 KB

english, 1998

13

Theoretical Investigation of the Low-Lying Electronic States of Dioxirane: Ring Opening to Dioxymethane and Dissociation into CO 2 and H 2

Anglada, Josep M., Bofill, Josep M., Olivella, Santiago, Solé, Albert

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 113 KB

english, 1998

14

Ti 4+ and Zr 4+ inside Aluminosilicate and Borosilicate Cages: A Computational Study

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 54 KB

english, 1998

15

Aromatic Ring-Forming Reactions of Metastable Diacetylene with 1,3-Butadiene

Arrington, Caleb A., Ramos, Christopher, Robinson, Allison D., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 241 KB

english, 1998

16

Reactions of Laser-Ablated Boron Atoms with Ethylene and Ethane. Infrared Spectra and DFT Calculations for Several Novel BC 2 H x ( x = 1, 2, 3, 4, 5) Molecules

Andrews, Lester, Lanzisera, Dominick V., Hassanzadeh, Parviz, Hannachi, Yacine

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 238 KB

english, 1998

17

Ab Initio Determination of the Force Field of Dichloromethane, Verified by Gas-Phase Infrared Frequencies and Intensities and Applied to a Combined Electron Diffraction and Microwave Investigation of Geometry

Wang, Y., Tremmel, J., De Smedt, J., Van Alsenoy, C., Geise, H. J., Van der Veken, B.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 8 KB

english, 1998

18

New Interpretation of the Valence Tautomerism of 1,6-Methano[10]annulenes and Its Application to Fullerene Derivatives

Choi, Cheol Ho, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 159 KB

english, 1998

19

Experimental and Theoretical Studies of MCF 3+ (M = Fe and Co): Reactivities, Structures, and Potential Energy Surface for C−F Activation

Chen, Quan, Freiser, Ben S.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 229 KB

english, 1998

20

Theoretical Studies of Steric Effects on Intraligand Electron Delocalization: Implications for the Temporal Evolution of MLCT Excited States

Damrauer, Niels H., Weldon, Brandon T., McCusker, James K.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 198 KB

english, 1998

21

Threshold Photoelectron−Photoion Coincidence Spectroscopy of Perfluorocarbons. 1. Saturated Perfluorocarbons C 2 F 6 , C 3 F 8 , and n -C 4 F 10

Jarvis, Gary K., Boyle, Kenneth J., Mayhew, Chris A., Tuckett, Richard P.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 334 KB

english, 1998

22

Diffusion of Photochemically Generated Intermediate Radicals in Water−Ethanol Mixed Solvents

Okamoto, Koichi, Hirota, Noboru, Terazima, Masahide

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 105 KB

english, 1998

23

Solvent Effect on Intramolecular Long-Range Electron-Transfer Reactions between Porphyrin and Benzoquinone in an Acetonitrile Solution: Molecular Dynamics Calculations of Reaction Rate Constants

Hayashi, Shigehiko, Kato, Shigeki

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 123 KB

english, 1998

24

Variational Transition State Theory and Tunneling Calculations with Reorientation of the Generalized Transition States for Methyl Cation Transfer

González-Lafont, Angels, Villà, Jordi, Lluch, José M., Bertrán, Juan, Steckler, Rozeanne, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 102 KB

english, 1998

25

Noble Gas Endohedral Complexes of C 60 Buckminsterfullerene

Darzynkiewicz, Richard B., Scuseria, Gustavo E.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 5 KB

english, 1998

26

Comment on the Possibility of Excited Recoil Energy Distributions in the Products of Complex-Forming Reactions with No Exit Barrier

Bonnet, L., Rayez, J. C.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 20 KB

english, 1998

27

Transient Photoresponse of the Tris(2,2‘-bipyridine)ruthenium(II)-Catalyzed Minimal Bromate Oscillator

Kaminaga, Akiko, Hanazaki, Ichiro

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 142 KB

english, 1998

28

Ultraviolet−Visible Absorption Cross Sections of Gaseous HOBr

Ingham, Trevor, Bauer, Dieter, Landgraf, Jochen, Crowley, John N.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 74 KB

english, 1998

29

A High-Level Computational Study on the Thermochemistry and Thermal Decomposition of Sulfur Mustard (2,2‘-Dichloroethyl Sulfide): A Chemical Warfare Agent

Glukhovtsev, Mikhail N., Bach, Robert D., Nagel, Christopher J.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 112 KB

english, 1998

30

Effect of NO on the Isotopically Selective Dissociation of CF 3 Br with a Transversely Excited Atmospheric CO 2 Laser

del Barrio, J. I., Fernández Cézar, R., G-Tablas, F. M.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 41 KB

english, 1998

31

Threshold Photoelectron−Photoion Coincidence Spectroscopy of Perfluorocarbons. 2. Unsaturated and Cyclic Perfluorocarbons C 2 F 4 , C 3 F 6 , 2-C 4 F 8 , and c-C 4 F 8

Jarvis, Gary K., Boyle, Kenneth J., Mayhew, Chris A., Tuckett, Richard P.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 112 KB

english, 1998

32

Ab Initio Study of Polycyclic Aromatic Hydrocarbons in Their Ground and Excited States

Goodpaster, John V., Harrison, James F., McGuffin, Victoria L.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 149 KB

english, 1998