Volume 110; Issue 45

Journal of Physical Chemistry A

Volume 110; Issue 45

1

Gas-Phase Ion Chemistry of BF 3 /NH 3 Mixtures

Pepi, Federico, Ricci, Andreina, Garzoli, Stefania, Rosi, Marzio

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 115 KB

english, 2006

2

Combined Kinetic Analysis of Solid-State Reactions: A Powerful Tool for the Simultaneous Determination of Kinetic Parameters and the Kinetic Model without Previous Assumptions on the Reaction Mechanism

Pérez-Maqueda, L. A., Criado, J. M., Sánchez-Jiménez, P. E.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 127 KB

english, 2006

3

An ab Initio Benchmark Study of Hydrogen Bonded Formamide Dimers

Frey, Jann A., Leutwyler, Samuel

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 177 KB

english, 2006

4

Spectroscopic and Theoretical Studies of the Zn(II) Chelation with Hydroxyflavones

Lapouge, Christine, Dangleterre, Laetitia, Cornard, Jean-Paul

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 290 KB

english, 2006

5

Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

Deshmukh, Milind M., Gadre, Shridhar R., Bartolotti, Libero J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 228 KB

english, 2006

6

Theoretical Study on the Excitation Energies of Six Tautomers of Guanine: Evidence for the Assignment of the Rare Tautomers

Chen, Hui, Li, Shuhua

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 157 KB

english, 2006

7

TD-DFT Description of Photoabsorption and Electron Transfer in a Covalently Bonded Porphyrin−Fullerene Dyad

Cramariuc, Oana, Hukka, Terttu I., Rantala, Tapio T., Lemmetyinen, Helge

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 207 KB

english, 2006

8

Theoretical Investigation of the Binding Energies of the Iodide Ion and Xenon Atom with Decaborane

Sioutis, Ilias, Pitzer, Russell M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 64 KB

english, 2006

9

Theoretical Thermodynamics and the Nature of Interactions of the Quasi-Binary NaCl−SnCl 2 System

Saloni, Julia, Roszak, Szczepan, Miller, Miroslaw, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 121 KB

english, 2006

10

Two-Dimensional Fluorescence (Excitation/Emission) Spectroscopy as a Probe of Complex Chemical Environments

Reilly, Neil J., Schmidt, Timothy W., Kable, Scott H.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

11

Thermochemistry of 2,5-Thiophenedicarboxylic Acid

Roux, María Victoria, Temprado, Manuel, Jiménez, Pilar, Foces-Foces, Concepción, Notario, Rafael, Verevkin, Sergey P., Liebman, Joel F.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 145 KB

english, 2006

12

Ab Initio Molecular Orbital Investigation of the Amine-Alanes (CH 3 ) n H 3- n AlNX 3 and Phosphane-Alanes (CH 3 ) n H 3- n AlPX 3 (X = H, F, and Cl; n = 0−3) Complexes

Jalbout, A. F., Boutalib, A.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 66 KB

english, 2006

13

A Theoretical Investigation of p -Hydroxyphenacyl Caged Phototrigger Compounds: An Examination of the Excited State Photochemistry of p -Hydroxyphenacyl Acetate

Chen, Xuebo, Ma, Chensheng, Kwok, Wai Ming, Guan, Xiangguo, Du, Yong, Phillips, David Lee

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 217 KB

english, 2006

14

Effect of Strain on the Photoisomerization and Stability of a Congested Azobenzenophane: A Combined Experimental and Computational Study

Bassotti, Elisa, Carbone, Paola, Credi, Alberto, Di Stefano, Marco, Masiero, Stefano, Negri, Fabrizia, Orlandi, Giorgio, Spada, Gian Piero

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 425 KB

english, 2006

15

Activation of Methane by the Iron Dimer Cation. A Theoretical Study

Chiodo, Sandro, Rivalta, Ivan, Michelini, Maria del Carmen, Russo, Nino, Sicilia, Emilia, Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 456 KB

english, 2006

16

Nucleation Simulations Using the Fluid Dynamics Software FLUENT with the Fine Particle Model FPM

Herrmann, Erik, Lihavainen, Heikki, Hyvärinen, Antti-Pekka, Riipinen, Ilona, Wilck, Martin, Stratmann, Frank, Kulmala, Markku

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 114 KB

english, 2006

17

Solute Dependence of Mobility of Solvent Molecules in Solvophobic Solute Solutions: Dielectric Relaxation of Nonpolar Solute/Alcohol Mixtures.

Nagao, A., Yamaguchi, T., Matsuoka, T., Koda, S.

Journal:

Journal of Physical Chemistry A

Year:

2006

File:

PDF, 4 KB

2006

18

Theoretical Study on the Mechanism for the Addition Reaction of SiH 3 with Propylene and Acetic Acid

Liu, Yongjun, Wang, Zhiguo, Suo, Yourui

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 132 KB

english, 2006

19

Theoretical Investigations on Thermal Rearrangement Reactions of (Aminomethyl)silane

Yu, Yongming, Feng, Shengyu

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 186 KB

english, 2006

20

Simultaneous Measurements of Visible (400−700 nm) and Infrared (3.4 μm) NO 2 Absorption

Dufour, Denis G., Drummond, James R., McElroy, C. Thomas, Midwinter, Clive, Bernath, Peter F., Walker, Kaley A., Nowlan, Caroline

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 73 KB

english, 2006

21

Infrared and Ultraviolet Absorptions of Matrix Isolated C 6 O 2

Strelnikov, Dmitry, Reusch, Roman, Krätschmer, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 192 KB

english, 2006

22

Multireference Configuration Interaction Calculation of the B̃ 2 A‘ ‘−X̃ 2 A‘ ‘ Transition of Halogen- and Methyl-Substituted Vinoxy Radicals

Yamaguchi, Makoto, Inomata, Satoshi, Washida, Nobuaki

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

23

Terahertz-Laser Control of Large Amplitude Vibrational Motion in the Sub-One-Cycle Pulse Limit

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 207 KB

english, 2006

24

Variable Temperature and EPR Frequency Study of Two Aqueous Gd(III) Complexes with Unprecedented Sharp Lines

Borel, Alain, Kang, Hoon, Gateau, Christelle, Mazzanti, Marinella, Clarkson, R. B., Belford, R. Linn

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 85 KB

english, 2006

25

Solvent Mediated Intramolecular Photoinduced Electron Transfer in a Fluorene-Perylene Bisimide Derivative

Neuteboom, Edda E., Meskers, Stefan C. J., Beckers, Edwin H. A., Chopin, Stéphanie, Janssen, René A. J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 157 KB

english, 2006

26

Hydration Phenomena of Sodium and Potassium Hydroxides by Water Molecules

Kumar, Anupriya, Park, Mina, Huh, Joo Youn, Lee, Han Myoung, Kim, Kwang S.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 246 KB

english, 2006

27

Atmospheric Chemistry of n -C x F 2 x +1 CHO ( x = 1, 2, 3, 4): Fate of n -C x F 2 x +1 C(O) Radicals

Hurley, M. D., Ball, J. C., Wallington, T. J., Sulbaek Andersen, M. P., Nielsen, O. J., Ellis, D. A., Martin, J. W., Mabury, S. A.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 90 KB

english, 2006

28

Ultrafast Electron-Transfer and Solvent Adiabaticity Effects in Viologen Charge-Transfer Complexes

Ponnu, Aravindan, Sung, Jiha, Spears, Kenneth G.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 452 KB

english, 2006