Volume 107; Issue 45

Journal of Physical Chemistry A

Volume 107; Issue 45

1

Structure of Charge-Transfer Complexes Formed by Biscrown Stilbene and Dipyridylethylene Derivatives As Probed by Surface-Enhanced Raman Scattering Spectroscopy

Alaverdian, Iouri S., Feofanov, Alexei V., Gromov, Sergey P., Vedernikov, Artem I., Lobova, Natal'ya A., Alfimov, Michael V.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 96 KB

english, 2003

2

Ab Initio Studies of Np and Pu Complexes and Reactions in the Gas Phase: Structures and Thermodynamics

Schimmelpfennig, Bernd, Privalov, Timofei, Wahlgren, Ulf, Grenthe, Ingmar

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 59 KB

english, 2003

3

A Quantum Chemical Study of Bonding Interaction, Vibrational Frequencies, Force Constants, and Vibrational Coupling of Pyridine−M n (M = Cu, Ag, Au; n = 2−4)

Wu, D. Y., Hayashi, M., Shiu, Y. J., Liang, K. K., Chang, C. H., Yeh, Y. L., Lin, S. H.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 122 KB

english, 2003

4

Blue-Shifted Hydrogen-Bonded Complexes CF 3 H−(HF) 1≤ n ≤3

Karpfen, Alfred, Kryachko, Eugene S.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

5

Coupled Cluster Theory and Multireference Configuration Interaction Study of FO, F 2 O, FO 2 , and FOOF

Feller, David, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 95 KB

english, 2003

6

Plateau Reactions: Double Proton-Transfer Processes with Structureless Transition States

Schweiger, Stefan, Rauhut, Guntram

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 186 KB

english, 2003

7

Study of the Interaction of Pollutant Nitro Polycyclic Aromatic Hydrocarbons with Different Metallic Surfaces by Surface-Enhanced Vibrational Spectroscopy (SERS and SEIR)

Carrasco, E. A., Campos-Vallette, M., Leyton, P., Diaz, G., Clavijo, R. E., García-Ramos, J. V., Inostroza, N., Domingo, C., Sanchez-Cortes, S., Koch, R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 152 KB

english, 2003

8

Pressure and Temperature Effects on Product Channels of the Propargyl (HC⋮CCH 2 ) Combination Reaction and the Formation of the “First Ring”

Howe, Pui-Teng, Fahr, Askar

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 185 KB

english, 2003

9

Reactions of Silylene with Unreactive Molecules. 2. Nitrogen: Gas-Phase Kinetic and Theoretical Studies

Becerra, Rosa, Cannady, J. Pat, Walsh, Robin

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

10

Kinetics of Chromate Adsorption and Desorption at Fused Quartz/Water Interfaces Studied by Second Harmonic Generation

Mifflin, Amanda L., Gerth, Katie A., Geiger, Franz M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 159 KB

english, 2003

11

Picosecond Time-Resolved Fluorescence Studies Are Consistent with Reversible Excited-State Intramolecular Proton Transfer in 4‘-(Dialkylamino)-3-hydroxyflavones

Shynkar, Vasyl V., Mély, Yves, Duportail, Guy, Piémont, Etienne, Klymchenko, Andrey S., Demchenko, Alexander P.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 132 KB

english, 2003

12

Quantitative Calculation of Product Rovibrational Distributions from Atom−Diatom Exchange Reactions

Marsh, Richard J., McCaffery, Anthony J., Osborne, Mark A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 171 KB

english, 2003

13

Three-Dimensional Correlation AnalysisA Novel Approach to the Quantification of Substituent Effects

Cherkasov, Artem, Sprous, Dennis G., Chen, Ridong

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 102 KB

english, 2003

14

Ground and Excited States of [M(H 2 timdt) 2 ] Neutral Dithiolenes (M = Ni, Pd, Pt; H 2 timdt = Monoanion of Imidazolidine-2,4,5-trithione): Description within TDDFT and Scalar Relativistic (ZORA) Approaches

Romaniello, Pina, Aragoni, M. C., Arca, M., Cassano, T., Denotti, C., Devillanova, F. A., Isaia, F., Lelj, Francesco, Lippolis, V., Tommasi, R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 237 KB

english, 2003

15

Hole Transfer and Differential Radical Recombination in X-Irradiated Doped Crystalline DNA Model Systems

Krivokapić, André, Sagstuen, Einar

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 79 KB

english, 2003

16

Phenothiazine−Pyrene Dyads: Photoinduced Charge Separation and Structural Relaxation in the CT State

Acar, Nursel, Kurzawa, Jana, Fritz, Norbert, Stockmann, André, Roman, Ciprian, Schneider, Siegfried, Clark, Timothy

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

17

Ultrafast Decarboxylation of Carbonyloxy Radicals: Influence of Molecular Structure

Abel, Bernd, Assmann, Jens, Buback, Michael, Grimm, Christian, Kling, Matthias, Schmatz, Stefan, Schroeder, Jörg, Witte, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

18

Collision-Induced IR Emission Spectra of Impact-Heated Rare-Gas Clusters

Gross, A., Levine, R. D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 89 KB

english, 2003

19

Theories of Reversible Dissociation: A Comparative Study

Popov, A. V., Burshtein, A. I.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 154 KB

english, 2003

20

An ab Initio Investigation of the Ground and First Two Excited Electronic States of the Difluoromethyl Radical

Fudacz, Peter S., Dober, Janell D., Jarman, Dennis L., Standard, Jean M., Quandt, Robert W.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 156 KB

english, 2003

21

The Trapping of the OH Radical by Coenzyme Q. A Theoretical and Experimental Study

Espinosa-García, J., Gutiérrez-Merino, C.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 177 KB

english, 2003

22

The Nucleation and Freezing of Dilute Nitric Acid Aerosols.

Dickens, D. B., Sloan, J. J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 41 KB

english, 2003

23

IR Photodissociation Spectroscopy of Na + [H 2 O] m [C 6 F 6 ] n Clusters: Evidence for Separation of Aqueous and Nonaqueous Phases

Patwari, G. Naresh, Lisy, James M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 83 KB

english, 2003

24

Gas-Phase Solvation Behavior of Ni(II) in Water/ N,N -Dimethylformamide Mixtures

Tsierkezos, Nikos G., Schröder, Detlef, Schwarz, Helmut

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

25

ESR Investigation of Radical Addition Reactions to 2-[(2,4,6-Tri- tert -Butyl)Phenyl]-1-Phosphaalkyne

Gigmes, Didier, Berchadsky, Yves, Finet, Jean-Pierre, Siri, Didier, Tordo, Paul

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 133 KB

english, 2003

26

Twofold Hydrogen Bridges as Observed in Amide-Templated Rotaxanes

Reckien, Werner, Peyerimhoff, Sigrid D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 133 KB

english, 2003

27

Ab Initio Calculation of the Polarizability for the Ground State X 1 Σ + and the First Low-Lying Excited States a 3 Σ + and A 1 Σ + of LiH and NaH

Mérawa, Mohammadou, Bégué, Didier, Dargelos, Alain

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

28

Ultrafast Solvation Dynamics: A View from the Solvent's Prospective Using a Novel Resonant-Pump, Nonresonant-Probe Technique

Underwood, David F., Blank, David A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 41 KB

english, 2003

29

Quantum Yields of Hydroxyl Radical and Nitrogen Dioxide from the Photolysis of Nitrate on Ice

Chu, Liang, Anastasio, Cort

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

30

SC n S Linear Chain Production by Direct Laser Ablation

Burnin, Andrei, BelBruno, Joseph J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 244 KB

english, 2003

31

The Fluorescence of N -Phenylpyrrole in an Argon/Acetonitrile Matrix

Schweke, Danielle, Haas, Yehuda

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 207 KB

english, 2003

32

Aerosol Uptake Described by Numerical Solution of the Diffusion−Reaction Equations in the Particle

Smith, Geoffrey D., Woods, Ephraim, Baer, Tomas, Miller, Roger E.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

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