Volume 104; Issue 34

Journal of Physical Chemistry A

Volume 104; Issue 34

1

Unimolecular Decomposition of the 2-Oxepinoxy Radical: A Key Seven-Membered Ring Intermediate in the Thermal Oxidation of Benzene

Fadden, Michael J., Hadad, Christopher M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 293 KB

english, 2000

2

Anharmonic Vibrational Spectroscopy Calculations for Novel Rare-Gas-Containing Compounds: HXeH, HXeCl, HXeBr, and HXeOH

Lundell, Jan, Chaban, Galina M., Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 56 KB

english, 2000

3

Controlling Chaos with Artificial Neural Network: Numerical Studies and Experiments

Kiss, István Z., Gáspár, Vilmos

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

4

Ab Initio Molecular Orbital and Density Functional Studies on the Stable Structures and Vibrational Properties of trans - and cis -Azobenzenes

Kurita, Noriyuki, Tanaka, Shigenori, Itoh, Satoshi

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 145 KB

english, 2000

5

Density Functional Study of the Interactions between Dihydrogen and Pd n ( n = 1−4) Clusters

Efremenko, Irena, German, Ernst D., Sheintuch, Moshe

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 196 KB

english, 2000

6

Kinetics and Mechanism of the Carbonate Ion Inhibited Aqueous Ozone Decomposition

Nemes, Attila, Fábián, István, van Eldik, Rudi

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 114 KB

english, 2000

7

Complexation of Na + and K + to Aromatic Amino Acids: A Density Functional Computational Study of Cation-π Interactions

Dunbar, Robert C.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 258 KB

english, 2000

8

Gas-Phase 1 H NMR Studies of Internal Rotation Barriers and Conformer Stabilities of N -Ethyl, N -Methylthioamides

Taha, Angela N., Neugebauer-Crawford, Susan M., True, Nancy S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

9

FTIR Study of N 2 O 3 on Porous Glass at Room Temperature

Mochida, Michihiro, Finlayson-Pitts, Barbara J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 121 KB

english, 2000

10

Nonadiabatic Trajectories at an Exhibition

Hack, Michael D., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 123 KB

english, 2000

11

Radiative and Nonradiative Excited State Relaxation Channels in Squaric Acid Derivatives Bearing Differently Sized Donor Substituents: A Comparison of Experiment and Theory

Gude, Claudia, Rettig, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

12

Unexpected Phenomena in the Mercury(II)−Chlorite Ion System: Formation and Kinetic Role of the HgClO 2+ Complex

Fábián, István, Szücs, Dóra, Gordon, Gilbert

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 59 KB

english, 2000

13

Reactions of Fe(CO) 3 and Fe(CO) 4 with C 2 Cl 4 in the Gas Phase Monitored by Transient Infrared Spectroscopy: Formation of Fe(CO) 4 (C 2 Cl 4 ), Fe(CO) 3 (C 2 Cl 4 ) 2 , and Novel Chloride Complexes Resulting from the Oxidative Addition of C 2 Cl

Cedeño, David L., Weitz, Eric

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 203 KB

english, 2000

14

Manganese Carbonyl Nitrosyl Complexes in Solid Argon: Infrared Spectra and Density Functional Calculations

Wang, Xuefeng, Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 135 KB

english, 2000

15

Reaction Path Hamiltonian Analysis of Dynamical Solvent Effects for a Claisen Rearrangement and a Diels−Alder Reaction

Hu, Hong, Kobrak, Mark N., Xu, Changsen, Hammes-Schiffer, Sharon

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

16

Solvation Statics and Dynamics in Electrolyte Solutions. The Ion−Solvent Exchange Model

Argaman, R., Molotsky, T., Huppert, D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 156 KB

english, 2000

17

Ab Initio Study of the Reactions between a Series of Substituted Singlet Nitrenium Ions and Water

Marquez, Manuel, Mari, Frank, Gonzalez, Carlos A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 4 KB

english, 2000

18

A Carbon-13 and Deuterium NMR Investigation of Solid Platinum−Ethylene Complexes: Zeise's Salt and Pt(η 2 -C 2 H 4 )(PPh 3 ) 2

Bernard, Guy M., Wasylishen, Roderick E., Phillips, Andrew D.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 211 KB

english, 2000

19

Excited State Properties of Donor−Acceptor Substituted trans -Stilbenes: The m eta -Amino Effect

Lewis, Frederick D., Weigel, Wilfried

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 103 KB

english, 2000

20

Photolysis and Spectroscopy of Vibrationally Excited C−H Overtones of CHFCl 2

Melchior, Aviva, Chen, Xiangling, Bar, Ilana, Rosenwaks, Salman

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

21

Reaction Chemistry in the Afterglow of an Oxygen−Helium, Atmospheric-Pressure Plasma

Jeong, James Y., Park, Jaeyoung, Henins, Ivars, Babayan, Steve E., Tu, Vincent J., Selwyn, Gary S., Ding, Guowen, Hicks, Robert F.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 106 KB

english, 2000

22

Elucidation, by Scanning Microcalorimetry, of the Detailed Mechanism of the Thermal Rearrangement of [18]Annulene into Benzene and 1,2-Benzo-1,3,7-cyclooctatriene. Determination and Interpretation of the Thermochemical and Kinetic Parameters of the Three Consecutive Reactions Implicated

Oth, Jean F. M., Gilles, Jean-Marie

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 316 KB

english, 2000

23

Thermochemistry of the Reactions F + ( 3 P, 1 D) + PH 3 in the Gas Phase

Fernández-Morata, Francisco, Alcamí, Manuel, González, Leticia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 81 KB

english, 2000

24

Association Forms of NO in Sodium Ion-Exchanged A-Type Zeolite: Temperature-Dependent Q-Band EPR Spectra

Yahiro, Hidenori, Lund, Anders, Aasa, Roland, Benetis, Nikolas P., Shiotani, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 241 KB

english, 2000

25

Solid State Polymerization of Acetylene at High Pressure and Low Temperature

Trout, Chad C., Badding, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 43 KB

english, 2000

26

Photodissociation of IO (355 nm) and OIO (532 nm): Quantum Yields for O( 3 P) and I( 2 P J ) Production

Ingham, Trevor, Cameron, Melanie, Crowley, John N.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 157 KB

english, 2000

27

The Shielding Constants and Scalar Couplings in N−H···OC and N−H···NC Hydrogen Bonded Systems: An ab Initio MO Study

Pecul, Magdalena, Leszczynski, Jerzy, Sadlej, Joanna

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

28

Artificial Neural Network Approach to Predict the Solubility of C 60 in Various Solvents

Kiss, István Z., Mándi, Géza, Beck, Mihály T.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 72 KB

english, 2000

29

Vibrational Relaxation of OH and OD Stretching Vibrations of Phenol and Its Clusters Studied by IR−UV Pump−Probe Spectroscopy

Ebata, Takayuki, Iwasaki, Atsushi, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 117 KB

english, 2000

30

Structures of NO 2+ (H 2 O) n and (HNO 3 )(H 3 O + )(H 2 O) n -2 ( n = 2−4) Clusters

Binning, R. C., Ishikawa, Yasuyuki

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 190 KB

english, 2000

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