Volume 105; Issue 14

Journal of Physical Chemistry A

Volume 105; Issue 14

1

CF 2 XCF 2 X and CF 2 XCF 2 • Radicals (X = Cl, Br, I): Ab Initio and DFT Studies and Comparison with Experiments

Ihee, Hyotcherl, Kua, Jeremy, Zewail, Ahmed H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 121 KB

english, 2001

2

ESR, ENDOR, and ESEEM Spectroscopy Study on the Local Structure and Motion of Reactants: Highly Selective Tunneling Radical Abstraction in a Neopentane−Ethane Mixture

Kumagai, Jun, Itagaki, Yoshiteru, Ishizuka, Masanobu, Kumada, Takayuki, Lund, Anders, Miyazaki, Tetsuo

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 81 KB

english, 2001

3

Traveling Chemical Waves for Measuring Solute Diffusivity in Thermosensitive Poly( N -isopropylacrylamide) Gel

Yoshida, Ryo, Otoshi, Gaku, Yamaguchi, Tomohiko, Kokufuta, Etsuo

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 172 KB

english, 2001

4

Infrared Spectroscopy of H-Bonded Bridges Stretched across the cis -Amide Group: I. Water Bridges

Carney, Joel R., Fedorov, A. V., Cable, J. R., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 143 KB

english, 2001

5

Ab Initio Studies of the Glyoxal Unimolecular Dissociation Pathways †

Koch, Denise M., Khieu, Nam Huan, Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

6

Reducing Radicals in Nitrate Solutions. The NO 32- System Revisited

Cook, Andrew R., Dimitrijevic, Nada, Dreyfus, Benjamin W., Meisel, Dan, Curtiss, Larry A., Camaioni, Donald M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 111 KB

english, 2001

7

Theoretical Studies on the Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase: O-Side vs N-Side Mechanisms

Basch, Harold, Musaev, Djamaladdin G., Mogi, Koichi, Morokuma, Keiji

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

8

IR−UV Double-Resonance Spectroscopic Study of 2-Hydroxypyridine and Its Hydrogen-Bonded Clusters in Supersonic Jets

Matsuda, Yoshiyuki, Ebata, Takayuki, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 108 KB

english, 2001

9

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

Bryce, David L., Wasylishen, Roderick E., Gee, Myrlene

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 94 KB

english, 2001

10

The Intramolecular Sulfur−Nitrogen Bond in Aqueous 3-(Methylthio)propylamine Radical Cation

Tripathi, G. N. R., Tobien, T.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 78 KB

english, 2001

11

Quadrupolar Solvent Effects on Solvation and Reactivity of Solutes Dissolved in Supercritical CO 2

Kauffman, John F.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 104 KB

english, 2001

12

Solvent Induced Charge Separation in the Excited States of Symmetrical Ethylene: A Direct Reaction Field Study

Zijlstra, Robert W. J., Grozema, Ferdinand C., Swart, Marcel, Feringa, Ben L., van Duijnen, Piet Th.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 104 KB

english, 2001

13

Ferrate(VI) Oxidation of Aqueous Phenol: Kinetics and Mechanism

Huang, Hua, Sommerfeld, David, Dunn, Brian C., Eyring, Edward M., Lloyd, Christopher R.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 81 KB

english, 2001

14

Integrated Intensities of O−H Stretching Bands: Fundamentals and Overtones in Vapor-Phase Alcohols and Acids

Lange, Kristofer R., Wells, Nathan P., Plegge, Keetra S., Phillips, James A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 60 KB

english, 2001

15

Density Functional Studies of Hydrogen Atom Addition to the CS Bond

Macrae, Roderick M., Carmichael, Ian

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 173 KB

english, 2001

16

Isomerization of Indole. Quantum Chemical Calculations and Kinetic Modeling

Dubnikova, Faina, Lifshitz, Assa

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 148 KB

english, 2001

17

Photolysis Dynamics of Cyclopropyl and Oxiranyl Aryl Ketones: Drastic Ring-Activation Effect of Oxygen

Kim, Hahkjoon, Kim, Taeg Gyum, Hahn, Joeoong, Jang, Du-Jeon, Chang, Dong Jo, Park, Bong Ser

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 131 KB

english, 2001

18

Role of Secondary Interactions in the Conformational Equilibrium of 2,6-Diisopropylphenol

Bikádi, Zsolt, Keresztury, Gábor, Holly, Sándor, Egyed, Orsolya, Mayer, István, Simonyi, Miklós

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001

19

Wave-Packet-Assisted Decomposition of Femtosecond Transient Ultraviolet−Visible Absorption Spectra: Application to Excited-State Intramolecular Proton Transfer in Solution

Ernsting, N. P., Kovalenko, S. A., Senyushkina, T., Saam, J., Farztdinov, V.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

20

Turbulent Ion Flow Tube Study of the Cluster-Mediated Reactions of SF 6- with H 2 O, CH 3 OH, and C 2 H 5 OH from 50 to 500 Torr

Arnold, Susan T., Viggiano, A. A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 75 KB

english, 2001

21

Vibrational Overtone Spectroscopy and Overtone Intensities of Cyclohexadiene Iron Tricarbonyl and 1,3-Cyclohexadiene

Fedorov, A. V., Snavely, D. L., Kjaergaard, H. G., Gough, K. M., Billinghurst, B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 84 KB

english, 2001

22

Theoretical Study of the Oxidative Addition of 16-Electron d 4 [ n ]-Metallocenophane Complexes with Methane

Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

23

IR and UV Absorption Spectrum of the Trifluoromethoxy Radical, CF 3 O·, Isolated in Rare Gas Matrices

Argüello, Gustavo A., Willner, Helge

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 66 KB

english, 2001

24

Reactions of the HO 2 Radical with CH 3 CHO and CH 3 C(O)O 2 in the Gas Phase

Tomas, Alexandre, Villenave, Eric, Lesclaux, Robert

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 123 KB

english, 2001

25

Hardness Profile: A Critical Study

Chandra, Asit K., Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 60 KB

english, 2001

26

Charge Density Analysis of Triplet and Broken Symmetry States Relevant to Magnetic Coupling in Systems with Localized Spin Moments

Chevreau, H., Moreira, I. de P. R., Silvi, B., Illas, F.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 123 KB

english, 2001

27

Kinetic Study of the Gas-Phase Reaction of Ca( 1 S 0 ) with O 2 from 296 to 623 K

Campbell, Mark L., Plane, John M. C.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 152 KB

english, 2001

28

The Periodate-Glycol Reaction. 5. Complex Formation and Kinetic Analyses of 1,2-Propanediol and 1,2-Butanediol

Taylor, Jay E., Masui, Hitoshi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 56 KB

english, 2001

29

Radiation Chemistry of Alternative Fuel Oxygenates: Substituted Ethers

Mezyk, Stephen P., Cooper, William J., Bartels, David M., O'She, Kevin E., Wu, Taixing

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 77 KB

english, 2001

30

Thermal Decomposition of 4-Methylpyrimidine. Experimental Results and Kinetic Modeling

Lifshitz, Assa, Suslensky, Aya, Tamburu, Carmen

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 258 KB

english, 2001

31

Rate Coefficients and Product Yields from Reaction of OH with 1-Penten-3-ol, ( Z )-2-Penten-1-ol, and Allyl Alcohol (2-Propen-1-ol)

Orlando, John J., Tyndall, Geoffrey S., Ceazan, Noah

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 70 KB

english, 2001

32

Dependence of Collision Lifetimes on Translational Energy

Bernshtein, V., Oref, I.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 48 KB

english, 2001

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