Volume 104; Issue 2

Journal of Physical Chemistry A

Volume 104; Issue 2

1

Optical Properties of Eu-Doped and Eu−Gd Co-Doped CsMgCl3: Temperature Dependence of Rate Constants for 5D2 and 5D1 Cross Relaxation in Symmetric Eu(III)−Eu(III) Pairs

Xiao, Ling Shi, Lang, Matthew, May, P. Stanley

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 485 KB

english, 2000

2

The Sonochemical Degradation of Azobenzene and Related Azo Dyes: Rate Enhancements via Fenton's Reactions

Joseph, Jiju M., Destaillats, Hugo, Hung, Hui-Ming, Hoffmann, Michael R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 164 KB

english, 2000

3

Model Hamiltonian Approach to the Infrared Intensities of Charged Conjugated π-Electron Systems

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 224 KB

english, 2000

4

Computationally Efficient Methodology to Calculate C−H and C−X (X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes

McGivern, W. Sean, Derecskei-Kovacs, Agnes, North, Simon W., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

5

Fragmentation of Radical Anions of Polyfluorinated Benzoates

Konovalov, Valery V., Laev, Sergey S., Beregovaya, Irina V., Shchegoleva, Lyudmila N., Shteingarts, Vitalij D., Tsvetkov, Yuri D., Bilkis, Itzhak

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 269 KB

english, 2000

6

Decomposition of Gaseous Phthalic Anhydride from a Vibrationally Hot Molecule Formed by ArF Laser Irradiation

Yatsuhashi, Tomoyuki, Nakashima, Nobuaki

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 122 KB

english, 2000

7

A Novel Network Structure of Organometallic Clusters in the Gas Phase

Nakajima, Atsushi, Kaya, Koji

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 305 KB

english, 2000

8

Photosensitized Generation of Singlet Oxygen from Vinyl Linked Benzo-Crown-Ether−Bipyridyl Ruthenium(II) Complexes

Abdel-Shafi, Ayman A., Beer, Paul D., Mortimer, Roger J., Wilkinson, Francis

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 185 KB

english, 2000

9

The Curiously Stable Cluster and its Neutral and Anionic Counterparts: The Advantages of Planarity †

Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 236 KB

english, 2000

10

Hydrogen Bonding in 2-Propanol. The Effect of Fluorination †

Schaal, Holger, Häber, Thomas, Suhm, Martin A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

11

A Density Functional Study of the H 2 O−HOCO Complex

Aloisio, Simone, Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 51 KB

english, 2000

12

Damped Pseudospectral Functional Forms of the Falloff Behavior of Unimolecular Reactions

Venkatesh, Prasana K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 73 KB

english, 2000

13

Structural Defects in Polythiophenes: Monte Carlo Simulations with Quantum Mechanical Growth Probabilities

Yurtsever, Mine, Yurtsever, Ersin

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

14

Internal Signal Stochastic Resonance in a Modified Flow Oregonator Model Driven by Colored Noise

Zhong, Shi, Xin, Houwen

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 93 KB

english, 2000

15

Atmospheric Oxidation Mechanism of Methyl Acetate

Christensen, L. K., Ball, J. C., Wallington, T. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

16

A Laser Flash Photolysis Study on the Reaction Mechanisms of Benzil with Various Amines

Okutsu, Tetsuo, Ooyama, Masaki, Hiratsuka, Hiroshi, Tsuchiya, Jun, Obi, Kinichi

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 76 KB

english, 2000

17

Influence of C−H···O Interactions on the Conformation of Methyl Groups Quantified from Neutron Diffraction Data

Steiner, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 71 KB

english, 2000

18

Enhancement of N 2 O 4 on Porous Glass at Room Temperature: A Key Intermediate in the Heterogeneous Hydrolysis of NO 2 ?

Barney, W. S., Finlayson-Pitts, B. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

19

Projected Unrestricted Hartree−Fock Calculations and the Magnetism of Large Nickel Clusters

Estiú, Guillermina Lucia, Cory, Marshall G., Zerner, Michael C.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

20

Numerical Pattern Recognition Analysis of CO Atmospheric Simulation Experiments

Jacobson, Matthew P., Coy, Stephen L., Field, Robert W., Lipson, Steven J., Lockwood, Ronald B., Vititoe, David L., Blumberg, William A. M., Armstrong, Peter S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

21

Electronic States of Al 3 As 2 , Al 3 As 2- , Al 3 As 2+ , Al 2 As 3 , Al 2 As 3- , and Al 2 As 3+

Feng, Ping Yi, Dai, Dingguo, Balasubramanian, K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 117 KB

english, 2000

22

Ab Initio Mechanism and Multichannel RRKM−TST Rate Constant for the Reaction of Cl( 2 P) with CH 2 CO (Ketene)

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 125 KB

english, 2000

23

Product Branching Ratio of the HCCO + NO Reaction

Rim, Kwang Taeg, Hershberger, John F.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 74 KB

english, 2000

24

Mechanisms of Ion Ejection from Liquid Beam under Irradiation of Laser by Simultaneous Detection of Ions Produced inside a Liquid Beam and Ejected into a Vacuum

Kohno, Jun-ya, Mafuné, Fumitaka, Kondow, Tamotsu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

25

Structural Studies of Higher Energy Conformers by Millimeter-Wave Spectroscopy: Oxalic Acid

Godfrey, Peter D., Mirabella, Mathew J., Brown, Ronald D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 85 KB

english, 2000

26

Ab Initio Investigation of the LiHe X 2 Σ + , A 2 Π, and B 2 Σ + States: A Basis Set Study

Kerkines, Ioannis S. K., Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 74 KB

english, 2000

27

Do Semiclassical Trajectory Theories Provide an Accurate Picture of Radiationless Decay for Systems with Accessible Surface Crossings?

Hack, Michael D., Jasper, Ahren W., Volobuev, Yuri L., Schwenke, David W., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 192 KB

english, 2000

28

A Unique Method for Laboratory Quantification of Gaseous Nitrous Acid (HONO) Using the Reaction HONO + HCl → ClNO + H 2 O

Wingen, Lisa M., Barney, William S., Lakin, Matthew J., Brauers, Theo, Finlayson-Pitts, Barbara J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

29

Vibrational Analysis of the Ground States of Trifluoroacetyl Fluoride and Trifluoroacetyl Chloride

Bent, Gary D., Zerrad, Essaid, Trucks, Gary W., Wiberg, Kenneth B., Taing, Len

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

30

Far-Infrared and Raman Spectra and Vibrational Potential Energy Surface for the Ring-Puckering and Ring-Flapping of Coumaran

Bondoc, Eugene, Klots, Timothy, Laane, Jaan

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

31

Theoretical Study of Formic Acid Anhydride Formation from Carbonyl Oxide in the Atmosphere

Aplincourt, P., Ruiz-López, M. F.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 162 KB

english, 2000

32

Temperature Dependence of the HO 2 + ClO Reaction. 1. Reaction Kinetics by Pulsed Photolysis-Ultraviolet Absorption and ab Initio Studies of the Potential Surface

Nickolaisen, Scott L., Roehl, Coleen M., Blakeley, Lisa K., Friedl, Randall R., Francisco, Joseph S., Liu, Ruifeng, Sander, Stanley P.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 234 KB

english, 2000

33

An Oregonator-Class Model for Photoinduced Behavior in the Ru(bpy) 32+ -Catalyzed Belousov−Zhabotinsky Reaction

Amemiya, Takashi, Ohmori, Takao, Yamaguchi, Tomohiko

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 158 KB

english, 2000

34

The Electronic Adiabatic-Diabatic Transformation Matrix: A Theoretical and Numerical Study of a Three-State System

Alijah, Alexander, Baer, Michael

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000