Volume 107; Issue 30

Journal of Physical Chemistry A

Volume 107; Issue 30

1

Theoretical Studies of the Reaction Mechanisms of Dimethylsulfide and Dimethylselenide with Peroxynitrite

Musaev, Djamaladdin G., Geletii, Yurii V., Hill, Craig L.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 304 KB

english, 2003

2

Fenton-like Chemistry in Water: Oxidation Catalysis by Fe(III) and H 2 O 2

Ensing, Bernd, Buda, Francesco, Baerends, Evert Jan

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 271 KB

english, 2003

3

Study of Local Hard−Soft Acid−Base Principle: Effects of Basis Set, Electron Correlation, and the Electron Partitioning Method

Chandrakumar, K. R. S., Pal, Sourav

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 132 KB

english, 2003

4

Theoretical Studies on Isoprene Ozonolysis under Tropospheric Conditions. 1. Reaction of Substituted Carbonyl Oxides with Water

Aplincourt, P., Anglada, J. M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 304 KB

english, 2003

5

Simultaneous Determination of Ligand-Field Parameters of Isostructural Lanthanide Complexes by Multidimensional Optimization

Ishikawa, Naoto

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 183 KB

english, 2003

6

The Local HSAB Principle and Bond Dissociation Energy of p -Substituted Phenol

Romero, María de L., Méndez, Francisco

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 29 KB

english, 2003

7

Ab Initio Calculation of Conformation and Vibrational Spectrum for the Pyrosulfate Ion

Berg, Rolf W., Johansen, Helge

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 151 KB

english, 2003

8

On the Origin of Higher Rotational Barriers in Thioamides than in Amides. Remote Substituent Effects on the Conformational Stability of the Thioamide Group in Thioacetanilides

Galabov, Boris, Ilieva, Sonia, Hadjieva, Boriana, Dinchova, Eli

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 140 KB

english, 2003

9

Finite Temperature Properties of (CO 2 ) n Clusters

Liu, Hanbin, Jordan, Kenneth D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 254 KB

english, 2003

10

Theoretical Characterization of Oxoanion, XO m n - , Solvation

Camaioni, Donald M., Dupuis, Michel, Bentley, John

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 300 KB

english, 2003

11

Theoretical Studies of the Isoprene Ozonolysis under Tropospheric Conditions. 2. Unimolecular and Water-Assisted Decomposition of the α-Hydroxy Hydroperoxides

Aplincourt, P., Anglada, J. M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 260 KB

english, 2003

12

Spectroscopy and Photophysics of Indoline and Indoline-2-Carboxylic Acid

Allen, Michael W., Unruh, Jay R., Slaughter, Brian D., Pyszczynski, Sarah J., Hellwig, Thaddaus R., Kamerzell, Tim J., Johnson, Carey K.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 153 KB

english, 2003

13

Are Four Oxygens Enough to Stabilize the N 8 Cube? Dissociation Pathways of Cage Isomers of N 8 O 4

Bruney, Lana Y., Strout, Douglas L.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 73 KB

english, 2003

14

Entropy Is the Major Driving Force for Fragmentation of Proteins and Protein−Ligand Complexes in the Gas Phase

Laskin, Julia, Futrell, Jean H.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 62 KB

english, 2003

15

Theoretical Study of the Reaction of HCl with C 3 H 2+ : A Possible Source of Carbon−Chlorine Compounds in Space

Redondo, José R., Redondo, Pilar, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 377 KB

english, 2003

16

Collision-Assisted Spectroscopy of HCN above the Isomerization Barrier

Lessen, Daniel, Baskin, J. Spencer, Jones, Christopher M., He, Tian, Carrasquillo-Molina, Edwin

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 102 KB

english, 2003

17

Ab Initio and Density Functional Study of the Electronic Transitions of Indoline and Indoline-2-Carboxylic Acid

Slaughter, Brian D., Allen, Michael W., Lushington, G. H., Johnson, Carey K.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 544 KB

english, 2003

18

Gas-Phase Reactions of OH Radicals with Dimethyl Sulfoxide and Methane Sulfinic Acid Using Turbulent Flow Reactor and Chemical Ionization Mass Spectrometry

Kukui, Alexander, Borissenko, Dmitri, Laverdet, Gérard, Le Bras, Georges

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 187 KB

english, 2003

19

Comments on “Redox and Acidity Properties of 2,2‘- and 4,4‘-Biphenols and Corresponding Phenoxyl Radicals”

Pal, H., Das, T. N.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 17 KB

english, 2003

20

Gas- and Solution-Phase Energetics of the Methyl α- and β- d -Aldopentofuranosides

Houseknecht, Justin B., Lowary, Todd L., Hadad, Christopher M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 410 KB

english, 2003

21

H Atom Branching Ratios from the Reactions of CH with C 2 H 2 , C 2 H 4 , C 2 H 6 , and n eo -C 5 H 12 at Room Temperature and 25 Torr

McKee, Kenneth, Blitz, Mark A., Hughes, Kevin J., Pilling, Michael J., Qian, Hai-Bo, Taylor, Andrew, Seakins, Paul W.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 102 KB

english, 2003

22

Gas Phase H/D Exchange of Protonated Arginine Monomers and Dimers

Geller, Orit, Lifshitz, Chava

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 117 KB

english, 2003

23

Photodissociation of Bidentate Metal Complex Cations−Hydrogen Shift Reactions

Liu, Haichuan, Sun, Julong, Yang, Shihe

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 420 KB

english, 2003

24

Probing the Spectral Diffusion of Vibrational Transitions of OCN - and SCN - in Methanol by Three-Pulse Infrared Photon Echo Spectroscopy

Ohta, Kaoru, Maekawa, Hiroaki, Saito, Shinji, Tominaga, Keisuke

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 133 KB

english, 2003

25

Infrared Depletion Spectroscopy of the Hydrogen-Bonded Aniline−Diethylamine (C 6 H 5 -NH 2 ···NHC 4 H 10 ) Complex Produced in Supersonic Jet

Chowdhury, P. K.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 77 KB

english, 2003

26

Mechanism of Proton Transfer in Short Protonated Oligopeptides. 1. N -Methylacetamide and N 2 -Acetyl- N 1 -methylglycinamide

Kulhánek, Petr, Schlag, Edward W., Koča, Jaroslav

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 222 KB

english, 2003

27

A Kinetic and Mechanistic Study of the Reaction of Cl Atoms with Acrolein: Temperature Dependence for Abstraction Channel

Aranda, Alfonso, Díaz de Mera, Yolanda, Rodríguez, Ana, Rodríguez, Diana, Martínez, Ernesto

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 67 KB

english, 2003

28

Nonlinear Dielectric Relaxation in Solutions of Rodlike Nonpolar Dimers of Mesogenic and Nonmesogenic Carboxylic Acids

Kȩdziora, Przemysław, Jadżyn, Jan, Hellemans, Louis

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 82 KB

english, 2003

29

Kinetics and Product Study of the OH- and NO 2 -Initiated Oxidation of 2,4-Hexadiene in the Gas Phase

Jenkin, Michael E., Sørensen, Malene, Hurley, Michael D., Wallington, Timothy J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 200 KB

english, 2003

30

Reply to Comment on “Redox and Acidity Properties of 2,2‘- and 4,4‘-Biphenols and the Corresponding Phenoxyl Radicals”

Jonsson, Mats, Lind, Johan, Merényi, Gábor

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 17 KB

english, 2003

31

NMR Studies of Chloroquine−Ferriprotoporphyrin IX Complex

de Dios, Angel C., Tycko, Robert, Ursos, Lyann M. B., Roepe, Paul D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 83 KB

english, 2003

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