Volume 107; Issue 15

Journal of Physical Chemistry A

Volume 107; Issue 15

1

Systematic Investigation of Electronic and Molecular Structures for the First Transition Metal Series Metallocenes M(C5H5)2 (M = V, Cr, Mn, Fe, Co, and Ni)

Xu, Zhen-Feng, Xie, Yaoming, Feng, Wen-Lin, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 273 KB

english, 2003

2

Atmospheric Chemistry of C 2 F 5 C(O)CF(CF 3 ) 2 : Photolysis and Reaction with Cl Atoms, OH Radicals, and Ozone

Taniguchi, N., Wallington, T. J., Hurley, M. D., Guschin, A. G., Molina, L. T., Molina, M. J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 108 KB

english, 2003

3

Spectroscopy of Hydrothermal Reactions 23: The Effect of OH Substitution on the Rates and Mechanisms of Decarboxylation of Benzoic Acid

Li, Jun, Brill, Thomas B.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 252 KB

english, 2003

4

Internal Conversion in the Chromophore of the Green Fluorescent Protein: Temperature Dependence and Isoviscosity Analysis

Litvinenko, Konstantin L., Webber, Naomi M., Meech, Stephen R.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 140 KB

english, 2003

5

Pseudo-Jahn−Teller Distortion from Planarity in Heterocyclic Seven- and Eight-Membered Ring Systems with Eight π Electrons

Toyota, Azumao, Koseki, Shiro, Umeda, Hiroaki, Suzuki, Mika, Fujimoto, Kazuyoshi

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 94 KB

english, 2003

6

Detection of Electronic and Vibrational Coherence Effects in Electron-Transfer Systems by Femtosecond Time-Resolved Fluorescence Spectroscopy: Theoretical Aspects

Pisliakov, A. V., Gelin, M. F., Domcke, W.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 243 KB

english, 2003

7

Electronic Structure of Aromatic Pseudohalides

Novak, Igor, Kovač, Branka

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

8

The Weak-Link Approach: Quantum Chemical Studies of the Key Binuclear Synthetic Intermediates

Holliday, Bradley J., Arnold,, Frederick P., Mirkin, Chad A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 224 KB

english, 2003

9

Methyl-Group Move in Low-Temperature Rare-Gas Matrixes and Conformational Analysis of 1,4-Dimethoxybenzene

Akai, Nobuyuki, Kudoh, Satoshi, Nakata, Munetaka

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

10

Effect of Micelles on Oxygen-Quenching Processes of Triplet-State Para-Substituted Tetraphenylporphyrin Photosensitizers

Gerhardt, Sarah A., Lewis, James W., Kliger, David S., Zhang, Jin Z., Simonis, Ursula

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 71 KB

english, 2003

11

Influence of Inorganic Salts and Bases on the J-Band in the Absorption Spectra of Water Solutions of 1,1‘-Diethyl-2,2‘-cyanine Iodide

Struganova, Irina A., Hazell, Mesha, Gaitor, Jacinta, McNally-Carr, Debra, Zivanovic, Sanja

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 175 KB

english, 2003

12

From the Multiple-Well Master Equation to Phenomenological Rate Coefficients: Reactions on a C 3 H 4 Potential Energy Surface

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 397 KB

english, 2003

13

Role of C−H···S and C−H···N Hydrogen Bonds in Organic Crystal StructuresThe Crystal and Molecular Structure of 3-Methyl-2,4-diphenyl-(1,3)-thiazolidine-5-spiro-2‘-adamantane and 3-Methyl-2,4,5,5-tetraphenyl-(1,3)-thiazolidine

Domagała, Małgorzata, Grabowski, Sławomir J., Urbaniak, Katarzyna, Mlostoń, Grzegorz

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 197 KB

english, 2003

14

Structural Determination of Menthol and Isomenthol, a Minty Compound and Its Nonminty Isomer, by Means of Gas Electron Diffraction Augmented by Theoretical Calculations

Egawa, Toru, Sakamoto, Minoru, Takeuchi, Hiroshi, Konaka, Shigehiro

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 126 KB

english, 2003

15

Electronic Spectrum of the Gallium Dimer

Tan, Xiaofeng, Dagdigian, Paul J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 131 KB

english, 2003

16

Properties of the HCl/Ice, HBr/Ice, and H 2 O/Ice Interface at Stratospheric Temperatures (200 K) and Its Importance for Atmospheric Heterogeneous Reactions

Flückiger, Benoît , Chaix, Laurent, Rossi, Michel J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 15 KB

english, 2003

17

Theoretical Study of HNXH (X = N, P, As, Sb, and Bi) Isomers in the Singlet and Triplet States

Lai, Chin-Hung, Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 424 KB

english, 2003

18

DFT Calculation on the Thermodynamic Properties of Polychlorinated Dibenzo- p -dioxins: Intramolecular Cl−Cl Repulsion Effects and Their Thermochemical Implications

Lee, Jung Eun, Choi, Wonyong, Mhin, Byung Jin

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

19

Predissociation of Excited Acetylene in the Ã 1 A u State around the Adiabatic Dissociation Threshold as Studied by LIF and H-Atom Action Spectroscopy

Yamakita, Nami, Iwamoto, Sayoko, Tsuchiya, Soji

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 164 KB

english, 2003

20

Theoretical Investigation of the Reactivity of Copper Atoms with Carbon Disulfide

Dobrogorskaya, Yana, Mascetti, Joëlle, Pápai, Imre, Nemukhin, Alexander, Hannachi, Yacine

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 70 KB

english, 2003

21

Infrared Matrix Isolation and Theoretical Study of the Reactions of MoCl 4 O and MoCl 2 O 2 with CH 3 OH: Characterization of Cl 3 Mo(O)OCH 3

Schierloh, Emilie M., Ault, Bruce S.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 165 KB

english, 2003

22

Picosecond Time-Resolved Resonance Raman Study of CH 2 I−I Produced after Ultraviolet Photolysis of CH 2 I 2 in CH 3 OH, CH 3 CN/H 2 O and CH 3 OH/H 2 O Solutions

Kwok, Wai Ming, Ma, Chensheng, Parker, Anthony W., Phillips, David, Towrie, Michael, Matousek, Pavel, Phillips, David Lee

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

23

Controlling the Relative Orientation of Reactants with Intermolecular Forces: Intermolecular State-Dependent Structure in Prereactive H 2 −OH Complexes

Anderson, David T., Lester, Marsha I.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 168 KB

english, 2003