Volume 104; Issue 31

Journal of Physical Chemistry A

Volume 104; Issue 31

1

Absorption Spectra of Metallofullerenes M@C82 of Lanthanoids

Akiyama, Kazuhiko, Sueki, Keisuke, Kodama, Takeshi, Kikuchi, Koichi, Ikemoto, Isao, Katada, Motomi, Nakahara, Hiromichi

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 144 KB

english, 2000

2

Protonation of Nucleic Acid Bases. A Comprehensive Post-Hartree−Fock Study of the Energetics and Proton Affinities

Podolyan, Yevgeniy, Gorb, Leonid, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 198 KB

english, 2000

3

Structures and Properties of the Planar G·C·G·C Tetrads: Ab Initio HF and DFT Studies

Gu, Jiande, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 428 KB

english, 2000

4

Liquid−Liquid Equilibria of Dendrimer in Polar Solvent

Jang, Jeong Gyu, Noh, Si-Tae, Bae, Young Chan

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 61 KB

english, 2000

5

Atomic Partitioning of Molecular Electrostatic Potentials

Kosov, D. S., Popelier, P. L. A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 1.01 MB

english, 2000

6

OH Radical Yields from the Ozone Reaction with Cycloalkenes

Fenske, Jill D., Kuwata, Keith T., Houk, K. N., Paulson, Suzanne E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 242 KB

english, 2000

7

Infrared Depletion Spectroscopy Suggests Mode-Specific Vibrational Dynamics in the Hydrogen-Bonded Aniline−Diethyl Ether (C 6 H 5 −NH 2 ···OC 4 H 10 ) Complex

Chowdhury, P. K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 155 KB

english, 2000

8

Gas-Phase Br 2 Production in Heterogeneous Reactions of Cl 2 , HOCl, and BrCl with Halide−Ice Surfaces

Huff, Amy K., Abbatt, Jonathan P. D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 220 KB

english, 2000

9

Lifetime and Reorientation Measurements of 7-Azaindole and 7-Azatryptophan in Aqueous Adipic Acid Solutions: The Significance of Pendant Functionalities in Solution Phase Association Processes

Kelepouris, L., Blanchard, G. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

10

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 16. Oxidative Promotion of the Migratory Insertion of Carbon Monoxide in Cyclopentadienylmethyldicarbonyliron (II)

Cao, Zexing, Niu, Shuqiang, Hall, Michael B.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 220 KB

english, 2000

11

Molecules MH 3 (M = Cr, Mo, W) Are Pyramidal: CCSD(T) Ab Initio Study of Structure and Vibrational Dynamics

Balabanov, Nikolai B., Boggs, James E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 70 KB

english, 2000

12

Flame Synthesis of Metal-Catalyzed Single-Wall Carbon Nanotubes

Vander Wal, Randall L., Ticich, Thomas M., Curtis, Valerie E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 1.19 MB

english, 2000

13

Theoretical Photoabsorption Spectra of ClOOCl and Cl 2 O

Toniolo, A., Persico, M., Pitea, D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 122 KB

english, 2000

14

Molecular Vibrations of Pteridine and Two Symmetric Tetraazanaphthalenes

Hurst, Jeanette K., Wormell, Paul, Bacskay, George B., Lacey, Anthony R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 185 KB

english, 2000

15

Kinetics of the Reaction between Acetylperoxy and Ethylperoxy Radicals

Maricq, M. Matti, Szente, Joseph J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 124 KB

english, 2000

16

Formation of Buckminsterfullerene and Its Perchlorinated Fragments by Laser Ablation of Perchloroacenaphthylene

Xie, Su-Yuan, Huang, Rong-Bin, Ding, Jie, Yu, La-Jia, Wang, Yu-Huang, Zheng, Lan-Sun

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 58 KB

english, 2000

17

Study of Photocarrier Generation Mechanism in Bisazo Pigments from 1,5-Diaminoanthraquinone by Electron Spin Resonance

Huang, Zhongping, Wang, Guoping, Yu, Qingsen, Pan, Jinhong

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 68 KB

english, 2000

18

From the American Chemical Society Division of Physical Chemistry

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 12 KB

english, 2000

19

A Force Field for Phosphoric Acid: Comparison of Simulated with Experimental Data in the Solid and Liquid State

Spieser, Stéphane A. H., Leeflang, Bas R., Kroon-Batenburg, Loes M. J., Kroon, Jan

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 120 KB

english, 2000

20

Dynamics of Atomic and Molecular Hydrogen Elimination from Small Alkanes Following 157-nm Excitation

Wu, S. M., Lin, J. J., Lee, Y. T., Yang, X.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 220 KB

english, 2000

21

Thermal Rate Constants of the NO 2 Fission Reaction of Gas Phase α-HMX: A Direct ab Initio Dynamics Study

Zhang, Shaowen, Truong, Thanh N.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

22

Reactions of Tantalum Oxide Cluster Cations with 1-Butene, 1,3-Butadiene, and Benzene

Zemski, K. A., Bell, R. C., Castleman, A. W.

Journal:

Journal of Physical Chemistry A

Year:

2000

File:

PDF, 7 KB

2000

23

Diagnosis of a CH 4 /N 2 Microwave Discharge: Ionic and Neutral Species

Kareev, Michael, Sablier, Michel, Fujii, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 79 KB

english, 2000

24

Dynamics of Chemical and Charge-Transfer Reactions of Molecular Dications: III. Beam Scattering and Total Cross Section Data for Processes in the System CO 22+ + D 2

Mrázek, Libor, Žabka, Jan, Dolejšek, Zdenek, Hrušák, Jan, Herman, Zdenek

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 277 KB

english, 2000

25

Linearities in Gibbs Energies of Transfer of Alkali Metal Cations between Two Solvents and a New Aspect of Resolvation Related to Gas Phase Data

Rais, Jiří, Okada, Tatsuhiro

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 239 KB

english, 2000

26

Heterogeneous Chemistry of HOBr on Different Types of Ice and on Ice Doped with HCl, HBr, and HNO 3 at 175 K < T < 215 K

Chaix, L., Allanic, A., Rossi, M. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

27

4hJ ( 31 P− 31 P) Coupling Constants through N−H + −N Hydrogen Bonds: A Comparsion of Computed ab Initio and Experimental Data

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 25 KB

english, 2000

28

Temporary Anion States of Dichloroalkanes and Selected Polychloroalkanes

Aflatooni, Kayvan, Gallup, Gordon A., Burrow, Paul D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 145 KB

english, 2000

29

(Sub)picosecond Fluorescence Upconversion Studies of Intermolecular Proton Transfer of Dipyrido[2,3- a :3‘,2‘- i ]carbazole and Related Compounds

Marks, D., Zhang, H., Borowicz, P., Waluk, J., Glasbeek, M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 132 KB

english, 2000

30

Toward a Low-Barrier Transition-Metal-Free Catalysis of Hydrogenation Reactions: A Theoretical Mechanistic Study of HAlX 4 -Catalyzed Hydrogenations of Ethene (X = F, Cl, and Br)

Senger, Stefan, Radom, Leo

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 223 KB

english, 2000

31

Improved Interpolated Correction Schemes for Dual-Level Direct Dynamics Calculation

Huang, Chun-Huei, You, Ru-Min, Lian, Pei-Yin, Hu, Wei-Ping

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 73 KB

english, 2000

32

Quantum-Admixture Model of High-Spin ↔ Low-Spin Transition for Fe(III) Complex Molecules †

Xiao-Yu, Kuang, Kang-Wei, Zhou

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

33

Why Are Collision Induced Rotational Distributions Unresponsive to Kinematic Differences?

Clare, Suzanne, Marks, Alison J., McCaffery, Anthony J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 197 KB

english, 2000

34

Atmospheric Chemistry of CF 3 CF=CF 2 : Kinetics and Mechanism of Its Reactions with OH Radicals, Cl Atoms, and Ozone

Mashino, M., Ninomiya, Y., Kawasaki, M., Wallington, T. J., Hurley, M. D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

35

Theoretical 13 C NMR Spectra of IPR Isomers of Fullerenes C 60 , C 70 , C 72 , C 74 , C 76 , and C 78 Studied by Density Functional Theory

Sun, Guangyu, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 85 KB

english, 2000

36

Autoionization-Detected Infrared Spectroscopy of Jet-Cooled Naphthol Cations

Fujimaki, Eiji, Matsumoto, Yoshiteru, Fujii, Asuka, Ebata, Takayuki, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 189 KB

english, 2000