Volume 101; Issue 14

Journal of Physical Chemistry A

Volume 101; Issue 14

1

Local Density Functional Study of Oxoiron(IV) Porphyrin Complexes and Their One-Electron Oxidized Derivatives. Axial Ligand Effects

Antony, Jens, Grodzicki, Michael, Trautwein, Alfred X.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 253 KB

english, 1997

2

Molecular Orbital Calculation of 27 Al and 29 Si NMR Parameters in Q 3 and Q 4 Aluminosilicate Molecules and Implications for the Interpretation of Hydrous Aluminosilicate Glass NMR Spectra

Sykes, Dan, Kubicki, J. D., Farrar, Thomas C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 293 KB

english, 1997

3

Absolute Binding Energies of Lithium Ions to Short Chain Alcohols, C n H 2 n +2 O, n = 1−4, Determined by Threshold Collision-Induced Dissociation

Rodgers, M. T., Armentrout, P. B.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 279 KB

english, 1997

4

Quenching of Singlet Oxygen and Sensitized Delayed Phthalocyanine Fluorescence

Fu, Yulan, Krasnovsky,, Alexander A., Foote, Christopher S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 154 KB

english, 1997

5

Infrared Emission from the CF 3 + NO 2 Reaction

Oum, K. W., Hancock, G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 228 KB

english, 1997

6

Ab Initio Study of M + :18-Crown-6 Microsolvation

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 968 KB

english, 1997

7

Theoretical Study of Thermal Decomposition Mechanism of Oxalic Acid

Higgins, James, Zhou, Xuefeng, Liu, Ruifeng, Huang, Thomas T.-S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 198 KB

english, 1997

8

Styrene Clusters in a Supersonic Jet: Reactive and Nonreactive Systems

Kendler, S., Haas, Y.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 280 KB

english, 1997

9

Time-Resolved Laser-Induced Fluorescence Study of Photoinduced Electron Transfer at the Water/1,2-Dichloroethane Interface

Dryfe, Robert A. W., Ding, Zhifeng, Wellington, R. Geoffrey, Brevet, Pierre F., Kuznetzov, Alexander M., Girault, Hubert H.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 139 KB

english, 1997

10

Experimental Femtosecond Photoionization of NaI

Jouvet, C., Martrenchard, S., Solgadi, D., Dedonder-Lardeux, C., Mons, M., Grégoire, G., Dimicoli, I., Piuzzi, F., Visticot, J. P., Mestdagh, J. M., D'Oliveira, P., Meynadier, P., Perdrix, M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 155 KB

english, 1997

11

Methyl versus Aryl CH and CD Stretching Overtone Intensities in the Vapor Phase Spectra of Toluenes

Kjaergaard, Henrik G., Turnbull, David M., Henry, Bryan R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 289 KB

english, 1997

12

Thermochemistry of the Gas Phase Reactions of Fluorofullerene Anions

Boltalina, Olga V., Ponomarev, Dmitry B., Borschevskii, Andrey Ya., Sidorov, Lev N.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 92 KB

english, 1997

13

Determination of k‘ − J‘ Correlations of Reaction Products by Fluorescence-Imaging Techniques. 1. Linearly Polarized Excitation Scheme

Chen, Kuo-mei, Chang, Jia-lin

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 564 KB

english, 1997

14

Thermochemistry of the Gas Phase Molecular Complex of Benzene with Oxygen

Casero, Juan J., Joens, Jeffrey A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 80 KB

english, 1997

15

Insertion of Amines and Alcohols into Proton-Bound Dimers. A Density Functional Study

Martin, Jan M. L., Aviyente, Viktorya, Lifshitz, Chava

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 257 KB

english, 1997

16

Generation of Tris(dialkylamino)cyclopropenyl Radical Dications by Pulse Radiolysis and Redox Potential Determination for the C 3 (NEt 2 ) 3•2+ /C 3 (NEt 2 ) 3+ and C 3 (NC 5 H 10 ) 3•2+ /C 3 (NC 5 H 10

Surman, Peter W. J., Anderson, Robert F., Packer, John E., Taylor, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 105 KB

english, 1997

17

Lowest Triplet State of Indole: An ab Initio Study

Hahn, David K., Callis, Patrik R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 219 KB

english, 1997

18

Consequences of Conical Intersections in the H + O 2 → OH + O Reaction?

Fei, Ruian, Zheng, Xiaonan S., Hall, Gregory E.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 132 KB

english, 1997

19

CO 2 Coordination to Nickel Atoms: Matrix Isolation and Density Functional Studies

Galan, F., Fouassier, M., Tranquille, M., Mascetti, J., Pápai, I.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 264 KB

english, 1997

20

Evidence of Conformational Heterogeneity for Carbohydrate Mimetics. NMR Study of Methyl β- C -Lactoside in Aqueous Solution

Rubinstenn, Gilles, Sinaÿ, Pierre, Berthault, Patrick

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 184 KB

english, 1997

21

A Mass Spectrometric Study of the NH 2 + NO 2 Reaction

Park, J., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 124 KB

english, 1997

22

Thermochemistry of Molecules in the B−N−Cl−H System: Ab Initio Predictions Using the BAC-MP4 Method

Allendorf, Mark D., Melius, Carl F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 232 KB

english, 1997

23

Thermal and Near-Thermal Reactions of Pt + and Au + with Small Alkenes

Taylor, William S., Campbell, Allyson S., Barnas, Daniel F., Babcock, Lucia M., Linder, Christopher B.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 178 KB

english, 1997

24

Thermodynamic Study of Small Silicon Carbide Clusters with a Mass Spectrometer

Schmude,, Richard W., Gingerich, Karl A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 122 KB

english, 1997

25

Ring Puckering and CH Stretching Spectra. 3. High Vibrational States of Gaseous Monohydrogenated Cyclopentene- 4 - h 1

Lespade, L., Rodin-Bercion, S., Cavagnat, D.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 153 KB

english, 1997

26

Kinetic and Mechanistic Studies for Reactions of CF 3 CH 2 CHF 2 (HFC-245fa) Initiated by H-Atom Abstraction Using Atomic Chlorine

Chen, Junyi, Young, Valerie, Niki, Hiromi, Magid, Hillel

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 222 KB

english, 1997

27

A New Five-Site Pair Potential for Formic Acid in Liquid Simulations

Jedlovszky, Pál, Turi, László

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 133 KB

english, 1997

28

Evaluation of Optical Nonlinearities in Calixarenes

Morley, John O., Naji, Memdoh

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 119 KB

english, 1997

29

Theoretical ab Initio Study of CN 2 O 3 Structures: Prediction of New High-Energy Molecules

Korkin, Anatoli A., Lowrey, Alfred, Leszczynski, Jerzy, Lempert, David B., Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 328 KB

english, 1997

30

Direct Identification of the C 2 H(X 2 Σ + ) + O( 3 P) → CH(A 2 Δ) + CO Reaction as the Source of the CH(A 2 Δ→X 2 Π) Chemiluminescence in C 2 H 2 /O/H Atomic Flames

Devriendt, Katia, Peeters, Jozef

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 199 KB

english, 1997

31

Application of a Gaussian Distribution Function To Describe Molecular UV−Visible Absorption Continua. 2. The UV Spectra of RO 2• Radicals

Marić, D., Crowley, J. N., Burrows, J. P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 179 KB

english, 1997

32

Electronic Structure and Thermodynamic Properties of ScC 2

Roszak, S., Balasubramanian, K.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 117 KB

english, 1997

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