Volume 112; Issue 3

Journal of Physical Chemistry A

Volume 112; Issue 3

1

Kinetics of CH + N 2 Revisited with Multireference Methods

Harding, Lawrence B., Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 416 KB

english, 2008

2

Infrared Spectroscopy of Discrete Uranyl Anion Complexes

Groenewold, Gary S., Gianotto, Anita K., McIlwain, Michael E., Van Stipdonk, Michael J., Kullman, Michael, Moore, David T., Polfer, Nick, Oomens, Jos, Infante, Ivan, Visscher, Lucas, Siboulet, Bertran

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 459 KB

english, 2008

3

Theoretical Study and Rate Constant Computation on the Reaction HFCO + OH → CFO + H 2 O

Wang, Chaoyang, Li, Qian Shu

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 223 KB

english, 2008

4

Rotamerism, Tautomerism, and Excited-State Intramolecular Proton Transfer in 2-(4‘- N,N -Diethylamino-2‘-hydroxyphenyl)benzimidazoles: Novel Benzimidazoles Undergoing Excited-State Intramolecular Coupled Proton and Charge Transfer

Ríos Vázquez, Sonia, Ríos Rodríguez, M. Carmen, Mosquera, Manuel, Rodríguez-Prieto, Flor

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 342 KB

english, 2008

5

Dynamical Optimization for Partition Theory

Cohen, Morrel H., Car, Roberto

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 55 KB

english, 2008

6

Mass Analyzed Threshold Ionization Spectroscopy of o -, m -, and p -Dichlorobenzenes. Influence of the Chlorine Position on Vibrational Spectra and Ionization Energy

Gaber, Angela, Riese, Mikko, Grotemeyer, Juergen

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 159 KB

english, 2008

7

Comment on “Atmospheric Chemistry of Linear Perfluorinated Aldehydes: Dissociation Kinetics of C n F 2 n +1 CO Radicals”

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

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 15 KB

english, 2008

8

Electronic Spectroscopy and Photodissociation Dynamics of the 1-Hydroxyethyl Radical CH 3 CHOH

Karpichev, Boris, Edwards, Laura W., Wei, Jie, Reisler, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 113 KB

english, 2008

9

Quantum-Chemical Calculations of Carbon-Isotope Fractionation in CO 2 (g), Aqueous Carbonate Species, and Carbonate Minerals

Rustad, James R., Nelmes, Sierra L., Jackson, Virgil E., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 580 KB

english, 2008

10

Formation of Phenoxy and Cyclopentadienyl Radicals from the Gas-Phase Pyrolysis of Phenol

Khachatryan, Lavrent, Adounkpe, Julien, Dellinger, Barry

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 184 KB

english, 2008

11

Control of the Orbital Delocalization and Implications for Molecular Rectification in the Radical Anions of Porphyrins with Coplanar 90° and 180° β,β‘-Fused Extensions

E, Wenbo, Kadish, Karl M., Sintic, Paul J., Khoury, Tony, Govenlock, Linda J., Ou, Zhongping, Shao, Jianguo, Ohkubo, Kei, Reimers, Jeffrey R., Fukuzumi, Shunichi, Crossley, Maxwell J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 4.62 MB

english, 2008

12

Photoelectron Angular Distribution in Valence Shell Ionization of Heteroaromatic Molecules Studied by the Continuum Multiple Scattering Xα Method

Suzuki, Yoshi-ichi, Suzuki, Toshinori

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 301 KB

english, 2008

13

Kinetic Study of the Tocopherol Regeneration Reaction by Biological Hydroquinones in Micellar Solution

Itoh, Shingo, Nagaoka, Shin-ichi, Mukai, Kazuo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 163 KB

english, 2008

14

Microwave Spectrum, Structure, and Internal Dynamics of the Nitric Acid Dihydrate Complex

Craddock, Matthew B., Brauer, Carolyn S., Leopold, Kenneth R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 146 KB

english, 2008

15

Ultrafast Intersystem Crossing in 1-Nitronaphthalene. An Experimental and Computational Study

Zugazagoitia, Jimena S., Almora-Díaz, César Xavier, Peon, Jorge

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 234 KB

english, 2008

16

Unimolecular Reactions of Chemically Activated CF 2 BrCF 2 CH 3 and CF 2 BrCF 2 CD 3 : Evidence for 1,2-FBr Interchange

Lisowski, Carmen E., Duncan, Juliana R., Heard, George L., Setser, Donald W., Holmes, Bert E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 108 KB

english, 2008

17

Theoretical Investigation on the Mechanism of the CuI-Catalyzed Carbon−Nitrogen Coupling Reaction of 2-Iodo-selenophene with Benzamide

Wang, Pei-yi, Li, Lai-cai, Yang, Chun, Li, Yan-rong

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 296 KB

english, 2008

18

Photophysics and Nonlinear Optical Properties of Tetra- and Octabrominated Silicon Naphthalocyanines

Li, Yunjing, Dini, Danilo, Calvete, Mario J. F., Hanack, Michael, Sun, Wenfang

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 176 KB

english, 2008

19

Bond Dissociation Energies and Equilibrium Structures of Cu + (MeOH) x , x = 1−6, in the Gas Phase: Competition between Solvation of the Metal Ion and Hydrogen-Bonding Interactions

Yang, Z., Rannulu, N. S., Chu, Y., Rodgers, M. T.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 380 KB

english, 2008

20

Ices of CO 2 /H 2 O Mixtures. Reflection−Absorption IR Spectroscopy and Theoretical Calculations

Maté, Belén, Gálvez, Oscar, Martín-Llorente, Beatriz, Moreno, Miguel A., Herrero, Víctor J., Escribano, Rafael, Artacho, Emilio

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

21

Stimulated Emission Pumping Spectroscopyof the [X̃] 1 A‘ State of CHF

Mukarakate, Calvin, Tao, Chong, Jordan, Christopher D., Polik, William F., Reid, Scott A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 68 KB

english, 2008

22

Low-Symmetry Structures of Au 32 Z ( Z = +1, 0, −1) Clusters

Jalbout, Abraham F., Contreras-Torres, Flavio F., Pérez, Luis A., Garzón, Ignacio L.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 629 KB

english, 2008

23

Reply to “Comment on ‘Atmospheric Chemistry of Linear Perfluorinated Aldehydes: Dissociation Kinetics of C n F 2 n +1 CO Radicals'”

Waterland, Robert L., Dobbs, Kerwin D.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 16 KB

english, 2008

24

Stern−Gerlach Study of Multidecker Lanthanide−Cyclooctatetraene Sandwich Clusters

Miyajima, Ken, Knickelbein, Mark B., Nakajima, Atsushi

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 646 KB

english, 2008

25

Theoretical Survey of the Potential Energy Surface of Methyl Nitrite + Cu + Reaction

Zhao, Lianming, Guo, Wenyue, Yang, Tianfang, Lu, Xiaoqing

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 559 KB

english, 2008

26

Viscosity Dependence of the Kinetic Parameters of the Radical Ion Pair in Homogeneous Solution Determined by Optically Detected X- and Ku-Band Electron Spin Resonance

Kitahama, Yasutaka, Sakaguchi, Yoshio

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 214 KB

english, 2008

27

The Role of Monomers and Dimers in the Reduction of Ruthenium(II) Complexes of Redox-Active Tetraazatetrapyridopentacene Ligand

de Tacconi, Norma R., Chitakunye, Rungano, MacDonnell, Frederick M., Lezna, Reynaldo O.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 317 KB

english, 2008

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