Volume 103; Issue 18

Journal of Physical Chemistry A

Volume 103; Issue 18

1

Photoinduced Intramolecular Charge Transfer in a Series of Differently Twisted Donor−Acceptor Biphenyls As Revealed by Fluorescence

Maus, Michael, Rettig, Wolfgang, Bonafoux, Dominique, Lapouyade, René

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 397 KB

english, 1999

2

On the Nature of the Water−Hexafluorobenzene Interaction

Danten, Y., Tassaing, T., Besnard, M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 82 KB

english, 1999

3

Fourier Transform Infrared Study on Hydrogen Bonding Species of Carboxylic Acids in Supercritical Carbon Dioxide with Ethanol

Yamamoto, Morio, Iwai, Yoshio, Nakajima, Taro, Arai, Yasuhiko

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

4

Excited-State Photophysics and Dynamics of a Hemicyanine Dye in AOT Reverse Micelles

Kim, Jiho, Lee, Minyung

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 65 KB

english, 1999

5

Acidity of the Carbonate Radical

Czapski, Gidon, Lymar, Sergei V., Schwarz, Harold A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

6

Reactions of Laser Ablated Rhodium Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations on Rhodium Nitrides and Dinitrogen Complexes

Citra, Angelo, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

7

Theoretical Study of C n P, C n P + , C n P - ( n = 1−7) Clusters

Pascoli, G., Lavendy, H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 100 KB

english, 1999

8

A Hybrid QM−MM Potential Employing Hartree−Fock or Density Functional Methods in the Quantum Region

Lyne, Paul D., Hodoscek, Milan, Karplus, Martin

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

9

Coexistence of Neutral and Ion-Pair Clusters of Hydrated Sulfuric Acid H 2 SO 4 (H 2 O) n ( n = 1−5)A Molecular Orbital Study

Re, Suyong, Osamura, Yoshihiro, Morokuma, Keiji

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 340 KB

english, 1999

10

Ab Initio Study of the Reaction Mechanism of CH 3+ and CH 3- with CH 2 CNa(OH)

Wang, Yi-gui, Dolg, Michael, Bian, Wen-sheng, Deng, Cong-hao

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 139 KB

english, 1999

11

Energy Migration and Excimer Formation in Quasi-Two-Dimensional Polymer Films As Revealed by the Time-Resolved Fluorescence Depolarization Measurement

Sato, Nobuhiro, Ito, Shinzaburo, Sugiura, Kazutoshi, Yamamoto, Masahide

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 123 KB

english, 1999

12

Excited State Dynamics of a Julolidino Analogue of Crystal Violet: A Relaxation Path through a Conical Intersection?

Jurczok, Martin, Plaza, Pascal, Martin, Monique M., Rettig, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

13

Probing Temperature Effects on the Hydrogen Bonding Network of the Cl - (H 2 O) 2 Cluster

Dorsett, Helen E., Watts, Robert O., Xantheas, Sotiris S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 108 KB

english, 1999

14

Investigation of Free Singly and Doubly Charged Alkali Metal Sulfate Ion Pairs: M + (SO 42- ) and [M + (SO 42- )] 2 (M = Na, K)

Wang, Xue-Bin, Ding, Chuan-Fan, Nicholas, John B., Dixon, David A., Wang, Lai-Sheng

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 166 KB

english, 1999

15

Gas Phase Free Energies of Formation and Free Energies of Solution of α C-Centered Free Radicals from Alcohols: A Quantum Mechanical−Monte Carlo Study

Block, D. A., Armstrong, D. A., Rauk, A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 108 KB

english, 1999

16

Dynamic NMR Study of Ligand Exchange Reactions in U(VI)−Phosphonic Acid Systems

Muntean, J. V., Nash, K. L., Rickert, P. G., Sullivan, J. C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 63 KB

english, 1999

17

Effect of Proton Transfer on the Anionic and Cationic Pathways of Pyrimidine Photodimer Cleavage. A Computational Study

Rak, Janusz, Voityuk, Alexander A., Michel-Beyerle, Maria-Elisabeth, Rösch, Notker

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

18

Large Predicted Changes in Geometry Accompanying Charge Separation in Various “Rigid” Multichromophoric Systems in the Gas Phase: An ab Initio MO Study

Shephard, Michael J., Paddon-Row, Michael N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 49 KB

english, 1999

19

Laser Flash Photolysis Study of Methyl Derivatives of Phenyl Azide

Gritsan, Nina P., Gudmundsdóttir, Anna Dóra, Tigelaar, Dean, Platz, Matthew S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

20

Reduction Potentials of SO 3•- , SO 5•- , and S 4 O 6•3- Radicals in Aqueous Solution

Das, Tomi Nath, Huie, Robert E., Neta, P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 103 KB

english, 1999

21

The a 1 Δ g → X 3 Σ g- Transition in Molecular Oxygen: Interpretation of Solvent Effects on Spectral Shifts

Poulsen, Tina D., Ogilby, Peter R., Mikkelsen, Kurt V.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 94 KB

english, 1999

22

Temperature Effects on the Kinetics of Carbonate Radical Reactions in Near-Critical and Supercritical Water

Ferry, John L., Fox, Marye Anne

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 55 KB

english, 1999

23

Complex Pattern Formation in the Polyacrylamide−Methylene Blue−Oxygen Reaction

Steinbock, Oliver, Kasper, Eric, Müller, Stefan C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

24

Assessment of Density Functional Methods for the Calculation of Ionization Potentials of Unsaturated Molecules

Joantéguy, S., Pfister-Guillouzo, G., Chermette, H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 57 KB

english, 1999

25

Phenyl Ring Dynamics of Enkephalin Molecules and Behavior of Bound Solvents in the Crystalline States by 2 H NMR Spectroscopy

Kamihira, Miya, Naito, Akira, Tuzi, Satoru, Saitô, Hazime

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 110 KB

english, 1999

26

Py*Pu·Py Type Triplexes with Modified Bases: Ab Initio SCF-MO Studies toward Improved DNA Recognition

Venkateswarlu, Divi, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 54 KB

english, 1999

27

Hydrogen Abstraction from Methane and Hydrofluoromethanes by • OH Radical: Modified GAUSSIAN-2 Study

Korchowiec, Jacek, Kawahara, Shun-ichi, Matsumura, Kazunari, Uchimaru, Tadafumi, Sugie, Masaaki

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

28

Tuning of Structural and Magnetic Properties of Nitronyl Nitroxides by the Environment. A Combined Experimental and Computational Study

Adamo, Carlo, di Matteo, Andrea, Rey, Paul, Barone, Vincenzo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

29

Simulations of Condensed Phase Photochemistry: Cage Effect and Internal Conversion in Azoalkanes and Nitrosamines

Cattaneo, Paola, Granucci, Giovanni, Persico, Maurizio

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 163 KB

english, 1999

30

Conformational Analysis of Malonamide, N , N ‘-Dimethylmalonamide, and N , N , N ‘, N ‘-Tetramethylmalonamide

Sandrone, Giovanni, Dixon, David A., Hay, Benjamin P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 85 KB

english, 1999

31

Potential Energy Surfaces for Tc + CO, Re + CO, and Ta + CO and Periodic Trends of the Second- and Third-Row Transition Metals Interaction with CO

Tan, Hang, Liao, Muzhen, Dai, Dingguo, Balasubramanian, K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

32

Molecular Electrostatics for Exploring Complexes of Carbonyl Compounds and Hydrogen Fluoride

Gadre, Shridhar R., Bhadane, Pravin K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

33

Low Magnetic Field Dependence of the 31 P Chemically Induced Dynamic Nuclear Polarization in the Photolysis of a Benzoyl Phosphonate. Role of S−T - Mechanism

Ananchenko, Gennady S., Purtov, Peter A., Bagryanskaya, Elena G., Sagdeev, Renad Z.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 200 KB

english, 1999

34

Stochastic Resonance under Two-Parameter Modulation in a Chemical Model System

Amemiya, Takashi, Ohmori, Takao, Yamamoto, Tetsuya, Yamaguchi, Tomohiko

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 71 KB

english, 1999

35

New Types of Mixed-Mode Periodic Oscillations in the Belousov−Zhabotinsky Reaction in Continuously Stirred Tank Reactors

Rachwalska, Małgorzata, Kawczyński, Andrzej L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 45 KB

english, 1999

36

On the Possibility of Mixed Rydberg-Valence Bonds

Boldyrev, Alexander I., Simons, Jack

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

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