Volume 101; Issue 34

Journal of Physical Chemistry A

Volume 101; Issue 34

1

Self-Aggregation of Cationic Porphyrins in Water. Can π−π Stacking Interaction Overcome Electrostatic Repulsive Force?

Kano, Koji, Minamizono, Hideo, Kitae, Takashi, Negi, Shigeru

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 242 KB

english, 1997

2

Intramolecular Hydrogen Bonding, Gauche Interactions, and Thermodynamic Functions of 1,2-Ethanediamine, 1,2-Ethanediol, and 2-Aminoethanol: A Global Conformational Analysis

Chang, Y.-P., Su, T.-M., Li, T.-W., Chao, Ito

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 276 KB

english, 1997

3

Far Infrared Spectrum, ab Initio Calculations, and Conformational Analysis of 1-Pentyne

Bell, Stephen, Guirgis, Gamil A., Li, Yin, Durig, James R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 271 KB

english, 1997

4

Theoretical Study of Cation/Ether Complexes: The Alkali Metals and Dimethyl Ether

Hill, Susan E., Glendening, Eric D., Feller, David

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 164 KB

english, 1997

5

Stability and Fragmentation of Protonated Helium Dimers from ab Initio Calculations of Their Potential Energy Surfaces

Baccarelli, I., Gianturco, F. A., Schneider, F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 511 KB

english, 1997

6

Conformational Properties of Nickel(II) meso -Tetraphenylporphyrin in Solution. Raman Dispersion Spectroscopy Reveals the Symmetry of Distortions for a Nonplanar Conformer

Unger, Esko, Dreybrodt, Wolfgang, Schweitzer-Stenner, Reinhard

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 286 KB

english, 1997

7

Temperature Coefficients of Rates of Ethyl Radical Reactions with HBr and Br in the 228−368 K Temperature Range at Millitorr Pressures

Dobis, Otto, Benson, Sidney W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 255 KB

english, 1997

8

Theoretical Investigation of Electronic Structure and Nuclear Quadrupole Interactions in Cocaine Free Base

Pati, Ranjit, Das, T. P., Sahoo, N., Ray, S. N.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 127 KB

english, 1997

9

Translational Activation of the S N 2 Nucleophilic Displacement Reactions Cl - + CH 3 Cl (CD 3 Cl) → ClCH 3 (ClCD 3 ) + Cl - : A Guided Ion Beam Study

DeTuri, Vincent F., Hintz, Paul A., Ervin, Kent M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 472 KB

english, 1997

10

Generation and 355 nm Laser Photodissociation of Nitrous Acid (HONO) and HONO−Water Clusters

Ning, C. L., Pfab, J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 183 KB

english, 1997

11

Autoionization-Detected Infrared Spectroscopy of Molecular Ions

Fujii, Asuka, Iwasaki, Atsushi, Ebata, Takayuki, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 83 KB

english, 1997

12

Theoretical Investigations on Heterogeneous Ziegler−Natta Catalyst Supports: Stability of the Electron Donors at Different Coordination Sites of MgCl 2

Puhakka, Eini, Pakkanen, Tuula T., Pakkanen, Tapani A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 176 KB

english, 1997

13

Basin-Boundary Crossing Transitions in the Bistable Belousov−Zhabotinsky Reaction

Ali, F., Strizhak, P., Menzinger, M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 154 KB

english, 1997

14

Ab Initio Energetic Calculations of Elementary Reactions Relevant to Low-Temperature Silane Oxidation by Gaussian-2 Theory

Kondo, Shigeo, Tokuhashi, Kazuaki, Nagai, Hidekazu, Takahashi, Akifumi, Kaise, Masahiro, Sugie, Masaaki, Aoyagi, Mutsumi, Mogi, Koichi, Minamino, Satoshi

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 292 KB

english, 1997

15

Mechanism of the Vanadium Oxide-Catalyzed Selective Reduction of NO by NH 3 . A Quantum Chemical Modeling

Gilardoni, F., Weber, J., Baiker, A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 462 KB

english, 1997

16

Theoretical Study of the Reaction CH(X 2 Π) + NO(X 2 Π). I. Determination of Some Reaction Paths in the Lowest Triplet Potential Energy Surface

Marchand, N., Jimeno, P., Rayez, J. C., Liotard, D.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 484 KB

english, 1997

17

A Two-Dimensional EPR Nutation Study on Excited Multiplet States of Fullerene Linked to a Nitroxide Radical

Mizuochi, Norikazu, Ohba, Yasunori, Yamauchi, Seigo

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 142 KB

english, 1997

18

Observing Unimolecular Dissociation of Metastable Ions in FT-ICR: A Novel Application of the Continuous Ejection Technique

Lin, Chuan-Yuan, Chen, Quan, Chen, Huiping, Freiser, Ben S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 241 KB

english, 1997

19

Experimental and Theoretical Studies of the Unimolecular Decomposition of Nitrosobenzene: High-Pressure Rate Constants and the C−N Bond Strength

Park, J., Dyakov, I. V., Mebel, A. M., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 159 KB

english, 1997

20

Nature of the Transition Structure for Alkene Epoxidation by Peroxyformic Acid, Dioxirane, and Dimethyldioxirane: A Comparison of B3LYP Density Functional Theory with Higher Computational Levels

Bach, Robert D., Glukhovtsev, Mikhail N., Gonzalez, Carlos, Marquez, Manuel, Estévez, Carlos M., Baboul, Anwar G., Schlegel, H. Bernhard

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 400 KB

english, 1997

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