Volume 104; Issue 25

Journal of Physical Chemistry A

Volume 104; Issue 25

1

Cavity Ring-Down Polarimetry (CRDP): A New Scheme for Probing Circular Birefringence and Circular Dichroism in the Gas Phase

Müller, Thomas, Wiberg, Kenneth B., Vaccaro, Patrick H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 112 KB

english, 2000

2

Photoinduced Energy and Electron Transfer in Fullerene−Oligothiophene−Fullerene Triads

van Hal, Paul A., Knol, Joop, Langeveld-Voss, Bea M. W., Meskers, Stefan C. J., Hummelen, J. C., Janssen, René A. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 343 KB

english, 2000

3

FT-EPR Study of Methyl Radicals Photogenerated from [Ru(Me)(SnPh 3 )(CO) 2 (iPr-DAB)] and [Pt(Me) 4 (iPr-DAB)]: An Example of a Strong Excitation Wavelength Dependent CIDEP Effect

van Slageren, Joris, Martino, Débora M., Kleverlaan, Cornelis J., Bussandri, Alejandro P., van Willigen, Hans, Stufkens, Derk J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 106 KB

english, 2000

4

A Theoretical Study of the Different Conformations of N , N , N ‘, N ‘-Tetramethylethylenediamine

Wong, Ning-Bew, Cheung, Yu-San, Wu, De-Yin, Ren, Yi, Tian, Anmin, Li, Wai-Kee

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 56 KB

english, 2000

5

Theoretical Studies of Excited State Proton Transfer in Small Model Systems

Scheiner, Steve

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 201 KB

english, 2000

6

Dynamics of the Penning Ionization of Fullerene Molecules by Metastable Neon Atoms

Brunetti, B., Candori, P., Falcinelli, S., Vecchiocattivi, F., Sassara, A., Chergui, M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 59 KB

english, 2000

7

Structures of Protonated Arginine Dimer and Bradykinin Investigated by Density Functional Theory: Further Support for Stable Gas-Phase Salt Bridges

Strittmatter, Eric F., Williams, Evan R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 154 KB

english, 2000

8

Density Functional Calculation of the Electric Field Gradient in Cadmium Complexes: Comparison with Hartree−Fock, Second-Order Møller−Plesset, and Experimental Results

Antony, Jens, Hansen, Bjarne, Hemmingsen, Lars, Bauer, Rogert

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

9

Solids Modeled by ab Initio Crystal Field Methods. 21. Study of the Structure and Vibrational Spectrum of N,N ‘-Dimethylurea in the Gas Phase and in Its Cc Crystal Phase

Keuleers, R., Desseyn, H. O., Rousseau, B., Alsenoy, C. Van

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 143 KB

english, 2000

10

Rearrangement Pathways of Arylperoxy Radicals. I. The Azabenzenes

Fadden, Michael J., Hadad, Christopher M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 276 KB

english, 2000

11

Ab Initio and Density Functional Calculations of 19 F NMR Chemical Shifts for Models of Carbonic Anhydrase Inhibitors

DerHovanessian, Ariss, Rablen, Paul R., Jain, Ahamindra

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

12

CIDEP of 2-Chloroxanthone in 2-Propanol: Excitation Wavelength Dependence and Effect of Cross Relaxation

Kitahama, Yasutaka, Yang, Jung Sung, Hirota, Noboru

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 236 KB

english, 2000

13

Where Do the Forces in Molecules Come from? A Density Functional Study of N 2 and HCl

Autschbach, J., Schwarz, W. H. E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 191 KB

english, 2000

14

Kinetics of the O( 3 P) + N 2 O Reaction. 1. Direct Measurements at Intermediate Temperatures

Fontijn, Arthur, Goumri, Abdellatif, Fernandez, Abel, Anderson, William R., Meagher, Nancy E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 128 KB

english, 2000

15

Kinetics of the O( 3 P) + N 2 O Reaction. 2. Interpretation and Recommended Rate Coefficients

Meagher, Nancy E., Anderson, William R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 230 KB

english, 2000

16

Nuclear Magnetic Shielding and Spin−Spin Coupling of 1,2- 13 C-Enriched Acetylene in Gaseous Mixtures with Xenon and Carbon Dioxide

Jackowski, Karol, Wilczek, Marcin, Pecul, Magdalena, Sadlej, Joanna

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 44 KB

english, 2000

17

Ultrasonic Absorption Spectra in Aqueous Solutions of Alkylamines. Effect of Isotopic Solvents on Kinetics of Hydrolysis and Aggregation Reactions

Huang, Hua, Nishikawa, Sadakatsu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 80 KB

english, 2000

18

Electron Affinities of Selected Hydrogenated Silicon Clusters (Si x H y , x = 1−7, y = 0−15) from Density Functional Theory Calculations

Swihart, Mark T.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 162 KB

english, 2000

19

Thermochemical Properties and Structure of Phenol−(H 2 O) 1-6 and Phenoxy−(H 2 O) 1-4 by Density Functional Theory

Guedes, R. C., Costa Cabral, B. J., Martinho Simões, J. A., Diogo, H. P.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 152 KB

english, 2000

20

Mechanism of a Photoinduced Solvent-Assisted Transfer of a Proton to a Specified Remote Target

de Bekker, Erik J. A., Geerlings, J. Desiree, Varma, Cyril A. G. O.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 160 KB

english, 2000

21

Photophysical Properties of Hydroxy-Substituted Flavothiones

Elisei, Fausto, Lima, João C., Ortica, Fausto, Aloisi, Gian G., Costa, Manuela, Leitão, Emília, Abreu, Isabel, Dias, António, Bonifácio, Vasco, Medeiros, Jorge, Maçanita, António L., Becker, Ralph S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 133 KB

english, 2000

22

Lowest Electronic Excited States of Poly( p ara -cyclobutadienylenecyclopentadienylcobalt)butadiynylene

Harrison, B. Craig, Seminario, J. M., Bunz, U. H. F., Myrick, M. L.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 51 KB

english, 2000

23

Theoretical and Experimental Studies of the Reaction of OH with Isoprene

Stevens, Philip S., Seymour, Eric, Li, Zhuangjie

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 233 KB

english, 2000

24

Oxidation of Phenol by Singlet Oxygen Photosensitized by the Tris(2,2‘-bipyridine)ruthenium(II) Ion

Li, Cang, Hoffman, Morton Z.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

25

Anomalous Dispersion of Chemical Waves in a Homogeneously Catalyzed Reaction System

Manz, N., Müller, S. C., Steinbock, O.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 112 KB

english, 2000

26

The Chemistry of Dichloromethane Destruction in Atmospheric-Pressure Gas Streams by a Dielectric Packed-Bed Plasma Reactor

Fitzsimmons, C., Ismail, F., Whitehead, J. C., Wilman, J. J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000