Volume 106; Issue 27

Journal of Physical Chemistry A

Volume 106; Issue 27

1

Photophysical Characterization of Free-Base N-Confused Tetraphenylporphyrins

Belair, Jeffery P., Ziegler, Christopher J., Rajesh, Cheruvallil S., Modarelli, David A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 335 KB

english, 2002

2

Vertical Excitation Energies and Ionization Potentials of H2S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)2-MR-SDCI Calculation

Pitarch-Ruiz, José, Sánchez-Marín, José, Martín, Inmaculada, Velasco, Ana María

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

3

Interaction of M 3+ Lanthanide Cations with Diamide Ligands and Their Thia Analogues: A Quantum Mechanics Study of Monodentate vs Bidentate Binding, Counterion Effects, and Ligand Protonation

Boehme, Christian, Coupez, Bernard, Wipff, Georges

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 509 KB

english, 2002

4

Infrared Spectroscopy of Aqueous Carboxylic Acids: Malic Acid

Max, Jean-Joseph, Chapados, Camille

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 128 KB

english, 2002

5

Mass-Analyzed Threshold Ionization Spectroscopy of o -, m -, and p -Methylaniline Cations: Vicinal Substitution Effects on Electronic Transition, Ionization, and Molecular Vibration

Lin, J. L., Lin, K. C., Tzeng, W. B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 78 KB

english, 2002

6

Necessary Conditions for a Rigorous Minimal Diabatic Potential Matrix

Baer, Michael, Mebel, Alexander M., Billing, Gert D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 148 KB

english, 2002

7

Reactive Uptake of Ozone by Aerosol-Associated Unsaturated Fatty Acids: Kinetics, Mechanism, and Products

Moise, Tamar, Rudich, Yinon

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

8

Closing the Loop on Bond Selective Chemistry Using Tailored Strong Field Laser Pulses

Levis, R. J., Rabitz, H. A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 295 KB

english, 2002

9

How Good Is Koopmans' Approximation? G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules

Maksić, Zvonimir B., Vianello, Robert

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 67 KB

english, 2002

10

Carbon-13 Chemical-Shift Tensors in Polycyclic Aromatic Compounds: Fluoranthene and Decacyclene

Barich, Dewey H., Hu, Jian Zhi, Pugmire, Ronald J., Grant, David M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 86 KB

english, 2002

11

Reactivity of Phosphate Monoester Monoanions in Aqueous Solution. 2. A Theoretical Study of the Elusive Zwitterion Intermediates RO + (H)PO 32-

Bianciotto, Marc, Barthelat, Jean-Claude, Vigroux, Alain

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

12

Matrix Isolation Infrared Spectroscopic and Density Functional Theoretical Calculations of the GeO 2- and GeO 4- Anions

Zhou, Mingfei, Shao, Limin, Miao, Lei

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

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