Volume 105; Issue 33

Journal of Physical Chemistry A

Volume 105; Issue 33

1

DFT Calculations for Cu-, Ag-, and Au-Containing Molecules

Legge, F. Sue, Nyberg, Graeme L., Peel, J. Barrie

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

2

Infrared Spectra and Structures of Nickel and Palladium Dinitrosyl Complexes Isolated in Solid Argon

Alikhani, Mohammad Esmaïl, Krim, Lahouari, Manceron, Laurent

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 84 KB

english, 2001

3

Reactions of Hydroxyl Radical with Dimethyl Methylphosphonate and Diethyl Methylphosphonate. A Fundamental Mechanistic Study

Aguila, Ailette, O'Shea, Kevin E., Tobien, Thomas, Asmus, Klaus-Dieter

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

4

Primary and Secondary Glyoxal Formation from Aromatics: Experimental Evidence for the Bicycloalkyl−Radical Pathway from Benzene, Toluene, and p -Xylene

Volkamer, R., Platt, U., Wirtz, K.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

5

Density Functional Theory Study of the β-Carotene Radical Cation

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 62 KB

english, 2001

6

Time Resolved Resonance Raman, Ab Initio Hartree−Fock, and Density Functional Theoretical Studies on the Transients States of Perfluoro- p -Benzoquinone

Balakrishnan, G., Mohandas, P., Umapathy, S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 151 KB

english, 2001

7

Low-Temperature Kinetics of Reactions of the OH Radical with Propene and 1-Butene Studied by a Pulsed Laval Nozzle Apparatus Combined with Laser-Induced Fluorescence

Vakhtin, Andrei B., Lee, Seonkyung, Heard, Dwayne E., Smith, Ian W. M., Leone, Stephen R.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 97 KB

english, 2001

8

Energy of Crowded Molecules: 3,4,5-Trimethoxybenzoic Acid

Roux, Maria Victoria, Jiménez, Pilar, Mayorga, Paola-Andrea, Dávalos, Juan Z., Böhm, Stanislav, Exner, Otto

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 77 KB

english, 2001

9

Reactions of Laser-Ablated Platinum with Nitrogen: Matrix Infrared Spectra of Platinum Nitride, Complexes, and Anions

Citra, Angelo, Wang, Xuefeng, Bare, William D., Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 172 KB

english, 2001

10

Free-Jet Electronic Spectroscopy of the PO 2 Radical

Lei, Jie, Teslja, Alexey, Nizamov, Boris, Dagdigian, Paul J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

11

High Dimensional Model Representations

Li, Genyuan, Rosenthal, Carey, Rabitz, Herschel

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 227 KB

english, 2001

12

Excited Singlet (S 1 ) State Interactions of 6,11-Dihydroxy-5,12-naphthacenequinone with Aromatic Hydrocarbons

Rath, M. C., Pal, H., Mukherjee, T.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

13

Are the Properties of Shells Ligand Dependent? An ab Initio Study of Mixed H 3+ Ar n (H 2 ) m ( n + m = 6) Cations

Kaczorowska, Malgorzata, Roszak, Szczepan, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 175 KB

english, 2001

14

Period-Adding Bifurcations in Mixed-Mode Oscillations in the Belousov−Zhabotinsky Reaction at Various Residence Times in a CSTR

Rachwalska, Malgorzata, Kawczyński, Andrzej L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 50 KB

english, 2001

15

Properties of Small Bimetallic Ni−Cu Clusters

Derosa, Pedro A., Seminario, Jorge M., Balbuena, Perla B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 129 KB

english, 2001

16

Consecutive Photolyses of Naphthalenedicarboxylic Anhydrides in Low Temperature Matrixes: Experimental and Computational Studies on Naphthynes and Benzocyclopentadienylideneketenes

Sato, Tadatake, Niino, Hiroyuki, Yabe, Akira

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 151 KB

english, 2001

17

Ab Initio Investigation of Ethane Dissociation Using Generalized Transition State Theory

Lorant, François, Behar, Françoise, Goddard, William A., Tang, Yongchun

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

18

Stark Shift of Rotational Lines in the UV Spectrum of the Charge-Transfer Molecule Benzonitrile †

Siglow, Klaus, Neusser, Hans Jürgen

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

19

Polar Effects Control Hydrogen-Abstraction Reactions of Charged, Substituted Phenyl Radicals

Heidbrink, Jenny L., Ramírez-Arizmendi, Luis E., Thoen, Kami K., Guler, Leo, Kenttämaa, Hilkka I.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 163 KB

english, 2001

20

Kinetics and Products of the IO Self-Reaction

Bloss, William J., Rowley, David M., Cox, R. Anthony, Jones, Roderic L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 215 KB

english, 2001

21

Kinetics and Products of the IO + BrO Reaction

Rowley, David M., Bloss, William J., Cox, R. Anthony, Jones, Roderic L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 167 KB

english, 2001

22

Infrared Spectrum of the Palladium Nitrosyl Complex Isolated in Solid Argon

Krim, Lahouari, Alikhani, Esmaïl M., Manceron, Laurent

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 56 KB

english, 2001

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