Volume 107; Issue 35

Journal of Physical Chemistry A

Volume 107; Issue 35

1

Photoblinking of Rhodamine 6G in Poly(vinyl alcohol): Radical Dark State Formed through the Triplet

Zondervan, Rob, Kulzer, Florian, Orlinskii, Sergei B., Orrit, Michel

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

2

Geometric Phase Effects in Chemical Reaction Dynamics and Molecular Spectra

Kendrick, Brian K.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 552 KB

english, 2003

3

Matrix Isolation Infrared and ab Initio Study of Formic Acid−Acetylene Interaction: Example of H···π and C−H···O Interaction

George, Lisa, Sanchez-García, Elsa, Sander, Wolfram

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

4

Local Softness versus Local Density of States as Reactivity Index

Nguyen, Loc Thanh, De Proft, Frank, Cases Amat, Montserrat, Van Lier, Gregory, Fowler, Patrick W., Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 428 KB

english, 2003

5

Comparison of Gas-Phase and Solution-Phase Reactions of Dimethyl Sulfide and 2-(Methylthio)ethanol with Hydroxyl Radical

McKee, Michael L.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 161 KB

english, 2003

6

Intramolecular Electron Transfer in a Covalently Linked Mutated Azurin Dimer

Farver, Ole, Canters, Gerard W., van Amsterdam, Irene, Pecht, Israel

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 57 KB

english, 2003

7

A CASPT2 Investigation of the Ground and First Excited Singlet States of Fluoroiodocarbene

Standard, Jean M., Quandt, Robert W.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 54 KB

english, 2003

8

An Ab Initio Quantum Chemical and Kinetic Study of the NNH + O Reaction Potential Energy Surface: How Important Is This Route to NO in Combustion?

Haworth, Naomi L., Mackie, John C., Bacskay, George B.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 161 KB

english, 2003

9

Gas-Phase Potassium Binding Energies of MALDI Matrices: An Experimental and Theoretical Study

Zhang, Juan, Dyachokva, Evgueniya, Ha, Tae-Kyu, Knochenmuss, Richard, Zenobi, Renato

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 314 KB

english, 2003

10

Gas-Phase Photoemission Investigation of Diethynylthiophene: Experiment and Theory

Polzonetti, Giovanni, Contini, Giorgio, Carravetta, Vincenzo, Lo Sterzo, Claudio, Ricci, Antonella, Ferri, Angelica, Stranges, Stefano, de Simone, Monica

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 127 KB

english, 2003

11

van der Waals Complex and Solvatochromism Studies of Substituted Benzenes and Naphthalenes

Jiang, Shuo, Levy, Donald H.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 177 KB

english, 2003

12

A Computational and Conceptual DFT Study of the Reactivity of Anionic Compounds: Implications for Enzymatic Catalysis

Roos, G., Loverix, S., De Proft, F., Wyns, L., Geerlings, P.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 340 KB

english, 2003

13

Kinetics of the Self-Reaction of C 2 H 5 Radicals

Shafir, Eugene V., Slagle, Irene R., Knyazev, Vadim D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 145 KB

english, 2003

14

Synergism of Catalysis and Reaction Center Rehybridization. A Novel Mode of Catalysis in the Hydrolysis of Carbon Dioxide ‡

Lewis, Michael, Glaser, Rainer

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 100 KB

english, 2003

15

Classical versus Nonclassical Covalent Bonding between the Metal Hydride Radicals MH and M‘H j (MH = HBe, HMg, HCa; M‘H j = Li, BeH, BH 2 , Na, MgH, AlH 2 , K, CaH, GaH 2 )

Magnusson, Eric, Petrie, Simon

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 99 KB

english, 2003

16

Theoretical Study on Structures and Stability of SiC 2 S Isomers

Chen, Guang-hui, Ding, Yi-hong, Huang, Xu-ri, Li, Ze-sheng, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 459 KB

english, 2003

17

Chemical and Electronic Branching Ratios in the Chemiluminescent Reactions of Hyperthermal Ca( 3 P) Atoms with CF 2 Cl 2 and CF 2 CCl 2

Pino, Gustavo A., Rinaldi, Carlos A., Ferrero, Juan C.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

18

Influence of Electrostatic Environment on the Vibrational Frequencies of Proteins

Watson, Tim M., Hirst, Jonathan D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 336 KB

english, 2003

19

Direct Evidence of Orbital Mixing between Water and Solvated Transition-Metal Ions: An Oxygen 1s XAS and DFT Study of Aqueous Systems

Näslund, Lars-Åke, Cavalleri, Matteo, Ogasawara, Hirohito, Nilsson, Anders, Pettersson, Lars G. M., Wernet, Philippe, Edwards, David C., Sandström, Magnus, Myneni, Satish

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 195 KB

english, 2003

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