Volume 109; Issue 21

Journal of Physical Chemistry A

Volume 109; Issue 21

1

Density Functional Calculation of the Electronic Circular Dichroism Spectra of the Transition Metal Complexes [M(phen)3]2+ (M = Fe, Ru, Os)

Le Guennic, Boris, Hieringer, Wolfgang, Görling, Andreas, Autschbach, Jochen

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 369 KB

english, 2005

2

Kinetics of Salt-Induced J-aggregation of Cyanine Dyes

Slavnova, Tatyana D., Chibisov, Alexander K., Görner, Helmut

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 152 KB

english, 2005

3

Conformation of Solvent N , N -Dimethylpropionamide in the Coordination Sphere of the Zinc(II) Ion Studied by Raman Spectroscopy and DFT Calculations

Umebayashi, Yasuhiro, Mroz, Babara, Asada, Mitsunori, Fujii, Kenta, Matsumoto, Kai, Mune, Yutaka, Probst, Michael, Ishiguro, Shin-ichi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 137 KB

english, 2005

4

Photoinduced Charge Separation and Charge Recombination in [60]Fullerene−Ethylcarbazole and [60]Fullerene−Triphenylamines in Polar Solvents

Zeng, He-Ping, Wang, Tingting, Sandanayaka, Atula S. D., Araki, Yasuyuki, Ito, Osamu

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 382 KB

english, 2005

5

Femtosecond Transient Absorption Anisotropy Study on [Ru(bpy) 3 ] 2+ and [Ru(bpy)(py) 4 ] 2+ . Ultrafast Interligand Randomization of the MLCT State

Wallin, Staffan, Davidsson, Jan, Modin, Judit, Hammarström, Leif

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 134 KB

english, 2005

6

Ionization of Aniline and Its N -methyl and N -phenyl Substituted Derivatives by (Free) Electron Transfer to n -butyl Chloride Parent Radical Cations

Maroz, Andrej, Hermann, Ralf, Naumov, Sergej, Brede, Ortwin

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 259 KB

english, 2005

7

Semispectroscopic and Quantitative Structure−Property Relationship Estimates of the Equilibrium and Vibrationally Averaged Structure and Dipole Moment of 1-Buten-3-yne

Tasi, Gyula, Szöri, Milán, Császár, Attila G.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 97 KB

english, 2005

8

Ring Cleavage of Aziridines by Difluoroamine: Mechanistic Insights from ab Initio and DFT Study

Kalaiselvan, Anbarasan, Ammal, Salai Cheettu, Venuvanalingam, Ponnambalam, Yamataka, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 254 KB

english, 2005

9

Significant Effects of Substituents on Substituted Naphthalenes in the Higher Triplet Excited State

Sakamoto, Masanori, Cai, Xichen, Hara, Michihiro, Fujitsuka, Mamoru, Majima, Tetsuro

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 95 KB

english, 2005

10

Computational Study on the Reaction CH 2 CH 2 + F → CH 2 CHF + H

Zhang, Ming-Bo, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 305 KB

english, 2005

11

Infrared Spectra of a Species of Astrochemical Interest: Aminoacrylonitrile (3-Amino-2-propenenitrile)

Benidar, Abdessamad, Guillemin, Jean-Claude, Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

12

Multidimensional Description of the Aromaticity in Planar Five-Membered NSNS Ring Systems

Van Droogenbroeck, Joris, Van Alsenoy, Christian, Blockhuys, Frank

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 57 KB

english, 2005

13

Kinetics and Mechanism of (CF 3 ) 2 CHOCH 3 Reaction with OH Radicals in an Environmental Reaction Chamber

Chen, L., Kutsuna, S., Tokuhashi, K., Sekiya, A., Tamai, R., Hibino, Y.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 143 KB

english, 2005

14

Effect of Pressure on the Proton Transfer Rate from a Photoacid to a Solvent. 4. Photoacids in Methanol

Genosar, Liat, Lasitza, Tatiana, Gepshtein, Rinat, Leiderman, Pavel, Koifman, Nahum, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 211 KB

english, 2005

15

Trapping of the OH Radical by α-Tocopherol: A Theoretical Study

Navarrete, M., Rangel, C., Corchado, J. C., Espinosa-García, J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 118 KB

english, 2005

16

The Characterization of the High-Frequency Vibronic Contributions to the 77 K Emission Spectra of Ruthenium−Am(m)ine−Bipyridyl Complexes, Their Attenuation with Decreasing Energy Gaps, and the Implications of Strong Electronic Coupling for Inverted-Region Electron Transfer

Xie, Puhui, Chen, Yuan-Jang, Uddin, Md. Jamal, Endicott, John F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 533 KB

english, 2005

17

Kinetics of the HCCO + NO 2 Reaction

Meyer, Justin P., Hershberger, John F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 82 KB

english, 2005

18

Collision-Energy-Resolved Penning Ionization Electron Spectroscopy of HCOOH, CH 3 COOH, and HCOOCH 3 by Collision with He*(2 3 S) Metastable Atoms

Borodin, Andriy, Yamazaki, Masakazu, Kishimoto, Naoki, Ohno, Koichi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 360 KB

english, 2005

19

Theoretical Study of the Mechanism of NO 2 Production from NO + ClO

Sayin, Hasan, McKee, Michael L.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 251 KB

english, 2005

20

In Situ Study of Water-Induced Segregation of Bromide in Bromide-Doped Sodium Chloride by Scanning Polarization Force Microscopy

Ghosal, Sutapa, Verdaguer, Albert, Hemminger, John C., Salmeron, Miquel

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 765 KB

english, 2005

21

Correlation between Acoustic Cavitation Noise and Yield Enhancement of Sonochemical Reaction by Particle Addition

Tuziuti, Toru, Yasui, Kyuichi, Sivakumar, Manickam, Iida, Yasuo, Miyoshi, Norio

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 72 KB

english, 2005

22

Excited State Two Photon Absorption of a Charge Transfer Radical Dimer in the Near Infrared

Schiccheri, Nicola, Meneghetti, Moreno

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 49 KB

english, 2005

23

Vibronic Interactions and Possible Electron Pairing in the Photoinduced Excited Electronic States in Molecular Systems: A Theoretical Study

Kato, Takashi, Yamabe, Tokio

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 269 KB

english, 2005

24

Predictive Theory for Hydrogen Atom−Hydrocarbon Radical Association Kinetics

Harding, Lawrence B., Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 443 KB

english, 2005

25

Relative Rate and Product Studies of the OH−Acetone Reaction

Raff, Jonathan D., Stevens, Philip S., Hites, Ronald A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 156 KB

english, 2005

26

Reaction Kinetics and Critical Phenomena: Rates of Some First Order Gas Evolution Reactions in Binary Solvents with a Consolute Point

Kim, Yeong Woo, Baird, James K.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

27

Mechanistic and Kinetic Study of the O + CH 2 OH Reaction

Hou, Hua, Wang, Baoshan

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 167 KB

english, 2005

28

Validation of the Extended Simultaneous Kinetics and Ringdown Model by Measurements of the Reaction NH 2 + NO

Friedrichs, G., Colberg, M., Fikri, M., Huang, Z., Neumann, J., Temps, F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 193 KB

english, 2005

29

Drastic Difference in Lifetimes of the Charge-Separated State of the Formanilide−Anthraquinone Dyad versus the Ferrocene−Formanilide−Anthraquinone Triad and Their Photoelectrochemical Properties of the Composite Films with Fullerene Clusters

Okamoto, Ken, Hasobe, Taku, Tkachenko, Nikolai V., Lemmetyinen, Helge, Kamat, Prashant V., Fukuzumi, Shunichi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 370 KB

english, 2005