Volume 106; Issue 23

Journal of Physical Chemistry A

Volume 106; Issue 23

1

Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn 5- (Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and ab Initio Calculations

Zhai, Hua-Jin, Wang, Lai-Sheng, Kuznetsov, Aleksey E., Boldyrev, Alexander I.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 525 KB

english, 2002

2

Electronegativity Versus Lone Pair Shape: A Comparative Study of Phosphaferrocenes and Azaferrocenes

Frison, Gilles, Mathey, François, Sevin, Alain

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 142 KB

english, 2002

3

Study of Local Hard−Soft Acid−Base Principle to Multiple-Site Interactions

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

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

4

DFT Calculation of NMR J FF Spin−Spin Coupling Constants in Fluorinated Pyridines

Barone, Verónica, Peralta, Juan E., Contreras, Rubén H., Snyder, James P.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 61 KB

english, 2002

5

Substituent Effect on the Dual Fluorescence of Benzanilides and N -Methylbenzanilides in Cyclohexane. Direct Evidence for Intramolecular Charge Transfer

Zhang, Xuan, Sun, Xiang-Ying, Wang, Chao-Jie, Jiang, Yun-Bao

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 67 KB

english, 2002

6

Ring Current Patterns in Annelated Bicyclic Polyenes

Havenith, Remco W. A., Lugli, Francesca, Fowler, Patrick W., Steiner, Erich

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

7

Valence One-Electron and Shake-Up Ionization Bands of Carbon Clusters. III. The C n (n = 5,7,9,11) Rings

Deleuze, M. S., Giuffreda, M. G., François, J.-P.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 305 KB

english, 2002

8

Structure and Photoinduced Excited State Keto−Enol Tautomerization of 7-Hydroxyquinoline-(CH 3 OH) n Clusters

Matsumoto, Yoshiteru, Ebata, Takayuki, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 162 KB

english, 2002

9

C + C 2 H 2 : A Key Reaction in Interstellar Chemistry

Clary, David C., Buonomo, Erasmo, Sims, Ian R., Smith, Ian W. M., Geppert, Wolf D., Naulin, Christian, Costes, Michel, Cartechini, Laura, Casavecchia, Piergiorgio

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 188 KB

english, 2002

10

Kinetics of the Reaction between Propargyl Radical and Acetylene

Knyazev, Vadim D., Slagle, Irene R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

11

Reaction-Path Dynamics Calculations Using Integrated Methods. The CF 3 CH 3 + OH Hydrogen Abstraction Reaction

Espinosa-García, J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

12

Molecular Mechanics (MM4) Calculations on Amides

Langley, Charles H., Allinger, Norman L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

13

Investigation of the Influence of Heavy Water on Kinetic Pathways in the Bray−Liebhafsky Reaction

Stanisavljev, Dragomir R., Vukojević, Vladana B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

14

Quantitative Analysis of Mixing Structures in Chaotic Flows Generated by Infinitely Fast Reactions in the Presence of Diffusion

Giona, M., Cerbelli, S., Adrover, A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 563 KB

english, 2002

15

The Reaction of Cu(I) ( 1 S and 3 D) with N 2 O: An ab Initio Study

Delabie, Annelies, Pierloot, Kristine

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 130 KB

english, 2002

16

Isomerization versus Fragmentation of Glycine Radical Cation in Gas Phase

Simon, Silvia, Sodupe, Mariona, Bertran, Juan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 160 KB

english, 2002

17

High Level ab Initio Study of Thermal 1,3-Sigmatropic Shift in CH 2 CHCH 2 X with X = BH 2 , NH 2 , and CH 3

Choi, Jun Yong, Kim, Chang Kon, Kim, Chan Kyung, Lee, Ikchoon

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 183 KB

english, 2002

18

Ultrafast Nonequilibrium Charge Recombination Dynamics of Excited Donor−Acceptor Complexes

Nicolet, Olivier, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

19

Modeling Copper(I) Complexes: SIBFA Molecular Mechanics versus ab Initio Energetics and Geometrical Arrangements

Gresh, N., Policar, C., Giessner-Prettre, C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 304 KB

english, 2002

20

Blue-Shifting C−H···X (X = O, Halogen) Hydrogen Bonds in the Dimers of Formaldehyde Derivatives

Kovács, Attila, Szabó, Andrea, Nemcsok, Dénes, Hargittai, István

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

21

Photoluminescence of C 60 and Its Photofragments in the Gas Phase

Lee, Young Jong, Song, Nam Woong, Kim, Seong Keun

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 149 KB

english, 2002

22

Sigma Bonded Radical Cation Complexes: A Theoretical Study

Maity, Dilip K.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 120 KB

english, 2002

23

Nonstatistical Translational Energy Distribution of H 2 Elimination Products from Co + ( 3 F 4 ) + Propane

Reichert, Emily L., Weisshaar, James C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 260 KB

english, 2002

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