Volume 104; Issue 35

Journal of Physical Chemistry A

Volume 104; Issue 35

1

Energy Gaps of α,α‘-Substituted Oligothiophenes from Semiempirical, Ab Initio, and Density Functional Methods

De Oliveira, Marcos A., Duarte, Hélio A., Pernaut, Jean-Michel, De Almeida, Wagner B.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 108 KB

english, 2000

2

Adiabatic One- and Two-Photon Excited States in Phenylene-Based Conjugated Oligomers: A Quantum-Chemical Study

Karabunarliev, Stoyan, Baumgarten, Martin, Müllen, Klaus

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

3

Infrared (ATR) Study of Hydrogen Bonding in Solutions Containing Water and Ethylene Carbonate

Brooksby, Paula A., Fawcett, W. Ronald

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 98 KB

english, 2000

4

Reactions of Laser-Ablated Palladium and Platinum Atoms with Nitric Oxide: Infrared Spectra and Density Functional Calculations of MNO +,0,- and M(NO) 2 in Solid Argon and Neon

Citra, Angelo, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 211 KB

english, 2000

5

Carbon-13 Chemical-Shift Tensors in Polycyclic Aromatic Compounds. 9. 1 Biphenylene

Barich, Dewey H., Orendt, Anita M., Pugmire, Ronald J., Grant, David M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 89 KB

english, 2000

6

Fast Processes in a N 2 O-Modulated Hollow Cathode Discharge: Excitation and Diffusion

de los Arcos, T., Castillo, M., Domingo, C., Herrero, V. J., Sanz, M. M., Tanarro, I.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 134 KB

english, 2000

7

Laser Desorption/Ionization of Transition Metal Atoms and Oxides from Solid Argon

Andrews, Lester, Rohrbacher, Andreas, Laperle, Christopher M., Continetti, Robert E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 66 KB

english, 2000

8

Photochemical and Photophysical Deactivation of 2,4,6-Triaryl-1,3,5-triazines

Elbe, Frank, Keck, Juergen, Fluegge, Anja P., Kramer, Horst E. A., Fischer, Peter, Hayoz, Pascal, Leppard, David, Rytz, Gerhard, Kaim, Wolfgang, Ketterle, Michael

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 207 KB

english, 2000

9

Spectroscopic and Theoretical Determination of the Electronic Structure of Anisole, Thioanisole, and Methoxy- and Methylthiobenzonitriles: A Contribution to the Study of Organic Conducting Polymers

Dal Colle, Maurizio, Distefano, Giuseppe, Jones, Derek, Modelli, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

10

A Novel Method to Correlate Layer Charge and the Catalytic Activity of 2:1 Dioctahedral Smectite Clays in Terms of Binding the Interlayer Cation Surrounded by Monohydrate

Chatterjee, Abhijit, Iwasaki, Takashi, Ebina, Takeo

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 349 KB

english, 2000

11

Photodissociation Dynamics of Hydrated Ni 2+ Clusters: Ni 2+ (H 2 O) n ( n = 4−7)

Thompson, Christopher J., Husband, John, Aguirre, Fernando, Metz, Ricardo B.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 68 KB

english, 2000

12

NMR Shielding Calculations across the Periodic Table: Diamagnetic Uranium Compounds. 1. Methods and Issues

Schreckenbach, Georg, Wolff, Stephen K., Ziegler, Tom

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

13

Experimental and Modeling Study of Premixed Atmospheric-Pressure Dimethyl Ether−Air Flames

Kaiser, E. W., Wallington, T. J., Hurley, M. D., Platz, J., Curran, H. J., Pitz, W. J., Westbrook, C. K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 519 KB

english, 2000

14

Structures, Intramolecular Rotation Barriers, and Thermodynamic Properties (Enthalpies, Entropies and Heat Capacities) of Chlorinated Methyl Hydroperoxides (CH 2 ClOOH, CHCl 2 OOH, and CCl 3 OOH)

Sun, Hongyan, Chen, Chiung-Ju, Bozzelli, Joseph W.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

15

Accounting for Environmental Effects in ab Initio Calculations of Proton Transfer Barriers

Lill, Markus A., Hutter, Michael C., Helms, Volkhard

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 119 KB

english, 2000

16

Role of Dibromomalonic Acid in the Photosensitivity of the Ru(bpy) 32+ -Catalyzed Belousov−Zhabotinsky Reaction

Vanag, Vladimir K., Zhabotinsky, Anatol M., Epstein, Irving R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 132 KB

english, 2000

17

Photoinduced Charge Transfer between Tetracyano-Anthraquino-Dimethane Derivatives and Conjugated Polymers for Photovoltaics

Zerza, Gerald, Scharber, Markus C., Brabec, Christroph J., Sariciftci, N. Serdar, Gómez, Rafael, Segura, José L., Martín, Nazario, Srdanov, Vojislav I.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 138 KB

english, 2000

18

Acid−Base-Driven Multilevel Switching of Electronic Coupling in 2,4-Dimethylene Five-Member Heterocycles

Janicki, Slawomir Z., Petillo, Peter A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 67 KB

english, 2000

19

Six Structures of the Hydrazine Dimer

Dyczmons, Volker

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 284 KB

english, 2000

20

Zero Electron Kinetic Energy Spectroscopy and Theoretical Calculations of InNH 3

Rothschopf, Gretchen K., Perkins, Jimmye Shannon, Li, Shenggang, Yang, Dong-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000