Volume 107; Issue 9

Journal of Physical Chemistry A

Volume 107; Issue 9

1

Hydrogen Peroxide Photolysis in Acidic Aqueous Solutions Containing Chloride Ions. II. Quantum Yield of HO•(Aq) Radicals

Yu, Xiao-Ying, Barker, John R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 136 KB

english, 2003

2

Hydrogen Peroxide Photolysis in Acidic Aqueous Solutions Containing Chloride Ions. I. Chemical Mechanism

Yu, Xiao-Ying, Barker, John R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 182 KB

english, 2003

3

Effectiveness of Diffuse Basis Functions for Calculating Relative Energies by Density Functional Theory

Lynch, Benjamin J., Zhao, Yan, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 68 KB

english, 2003

4

Kinetics of Heterogeneous Ice Nucleation on the Surfaces of Mineral Dust Cores Inserted into Aqueous Ammonium Sulfate Particles

Hung, Hui-Ming, Malinowski, Adam, Martin, Scot T.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 265 KB

english, 2003

5

Structure and Bonding in B 6- and B 6 : Planarity and Antiaromaticity

Alexandrova, Anastassia N., Boldyrev, Alexander I., Zhai, Hua-Jin, Wang, Lai-Sheng, Steiner, Erich, Fowler, Patrick W.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 658 KB

english, 2003

6

Dissociation of Difluoroethylenes. I. Global Potential Energy Surface, RRKM, and VTST Calculations

González-Vázquez, Jesús, Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Vázquez, Saulo A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 264 KB

english, 2003

7

Ab Initio Study of an H 24 O 12 Zwitterion

Anick, David J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 202 KB

english, 2003

8

Electron Transfer-Induced cis − trans Isomerization of [Mn(CN)(CO) 2 {P(OPh) 3 }(Ph 2 PCH 2 PPh 2 )]: Solution and Solid State Voltammetric Studies

Hogan, Conor F., Bond, Alan M., Neufeld, Aaron K., Connelly, Neil G., Llamas-Rey, Estefania

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 361 KB

english, 2003

9

Theoretical Study of the Low-Lying Electronically Excited States of OBrO

Vetter, Reinhard, Ritschel, Thomas, Zülicke, Lutz, Peterson, Kirk A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 145 KB

english, 2003

10

Oxygen Production and Numerical Simulations of the Interphase Transport in the Modified Oscillating Briggs−Rauscher Reaction

Ševčík, Peter, Kissimonová, Katarína, Adamčíková, L'ubica

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 97 KB

english, 2003

11

Theoretical Investigation of the Low-Energy States of CpMoCl(PMe 3 ) 2 and Their Role in the Spin-Forbidden Addition of N 2 and CO

Jensen, Vidar R., Poli, Rinaldo

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 160 KB

english, 2003

12

First-Principle Study of Molecular Springs under Shear Deformation

Kang, Hong Seok, Bernholc, J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 353 KB

english, 2003

13

Dissociation of Difluoroethylenes. II. Direct Classical Trajectory Study of the HF Elimination from 1,2-Difluoroethylene

González-Vázquez, Jesús, Martínez-Núñez, Emilio, Fernández-Ramos, Antonio, Vázquez, Saulo A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 108 KB

english, 2003

14

On the Reaction of 2,4,5-Trichlorophenol with Hydroxyl Radicals: New Information on Transients and Their Properties

Bonifačić, Marija, Asmus, Klaus-Dieter, Gray, Kimberly A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

15

Surface Heterogeneity and Diffusion in the Desorption of Methanol from WO 3 (001) Surfaces

Ma, S., Amar, F. G., Frederick, B. G.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 223 KB

english, 2003

16

Transition Metal Dimer Internuclear Distances from Measured Force Constants

Jules, Joseph L., Lombardi, John R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 127 KB

english, 2003

17

Low-Temperature Photochemistry and Photodynamics of the Chromophore of Green Fluorescent Protein (GFP)

Stübner, Markus, Schellenberg, Peter

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 105 KB

english, 2003

18

Photoinduced Anisotropy in Spin-Coated Films of Chiral Smectic Copolymethacrylates Containing Azobenzene Side Groups

Rosenhauer, R., Kozlovsky, M. V., Stumpe, J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 134 KB

english, 2003

19

Unusual Temperature Dependence of Proton Transfer 3. Classical Kramers' Theory versus the Landau−Zener Curve-Crossing Formulation

Cohen, Boiko, Leiderman, Pavel, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 96 KB

english, 2003

20

Agostic vs π-Interactions in Complexes of Ethynylsilanes and Ethynylgermanes with Cu + in the Gas Phase

Corral, Inés, Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 368 KB

english, 2003

21

Laser Photolysis Studies of Rhodium(III) Porphyrins. Photodissociation of Axial Phosphine Ligand in the Temperature Range 300−200 K

Suzuki, Hiroyuki, Miyazaki, Yoshio, Hoshino, Mikio

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 120 KB

english, 2003

22

Diffusion of Buckminsterfullerene in n -Alkanes

Kowert, Bruce A., Dang, Nhan C., Sobush, Kurtis T., Seele, Louis G.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

23

Electronic Spectrum of Cobalt-Free Corrins Calculated by TDDFT Method

Jaworska, Maria, Kazibut, Gabriela, Lodowski, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 524 KB

english, 2003

24

Contribution of Diffusion to the Quenching by Oxygen of the Lowest Electronically Excited Singlet and Triplet States of Aromatic Molecules in Liquid Solution under High Pressure

Okamoto, Masami, Tamai, Takahisa, Tanaka, Fujio

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 116 KB

english, 2003

25

Molecular Properties Obtained by Analysis of Electronic Spectra Containing Interference Dips. Comparisons of Analytical Equations and Exact Models Based on Coupled Potential Energy Surfaces

Bussière, Guillaume, Reber, Christian, Neuhauser, Daniel, Walter, Derek A., Zink, Jeffrey I.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 132 KB

english, 2003

26

OH Reactivity and UV Spectra of Propane, n -Propyl Bromide, and Isopropyl Bromide

Kozlov, Sergey N., Orkin, Vladimir L., Huie, Robert E., Kurylo, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 201 KB

english, 2003

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