Volume 101; Issue 46

Journal of Physical Chemistry A

Volume 101; Issue 46

1

Controlling Electrochemical Chaos in the Copper−Phosphoric Acid System

Kiss, I. Z., Gáspár, V., Nyikos, L., Parmananda, P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 210 KB

english, 1997

2

Theoretical Studies of Carbocations in Ion Pairs. 1. 1 The 2-Propyl Cation

Fǎrcaşiu, Dan, Hâncu, Dan

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 168 KB

english, 1997

3

Ab Initio Study of RDX Decomposition Mechanisms

Wu, Christine J., Fried, Laurence E.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 149 KB

english, 1997

4

Photophysical Properties of (O 2 ( 1 Δ g )) 2 and O 2 ( 1 ) in Solution Phase

Chou, Pi-Tai, Chen, Youn-Chan, Wei, Ching-Yen, Chen, Shu-Juan, Lu, Hui-Ling, Wei, Tai-Huei

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 208 KB

english, 1997

5

Experiments and Theory on the Thermal Decomposition of CHCl 3 and the Reactions of CCl 2

Kumaran, S. S., Su, M.-C., Lim, K. P., Michael, J. V., Klippenstein, S. J., DiFelice, J., Mudipalli, P. S., Kiefer, J. H., Dixon, David A., Peterson, Kirk A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 203 KB

english, 1997

6

Molybdenum Oxide Cluster Ions in the Gas Phase: Structure and Reactivity with Small Molecules

Fialko, Elena F., Kikhtenko, Andrey V., Goncharov, Vladimir B., Zamaraev, Kirill I.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 244 KB

english, 1997

7

Molecular Dynamics Study of Two-Component Systems: The Shape and Surface Structure of Water/Ethanol Droplets

Tarek, Mounir, Klein, Michael L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 132 KB

english, 1997

8

An ab Initio Study of Nucleophilic Attack of Trimethyl Phosphate: Factors Influencing Site Reactivity

Chang, Nai-yuan, Lim, Carmay

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 311 KB

english, 1997

9

Spectroscopy of Hydrothermal Reactions. 7. Kinetics of Aqueous [NH 3 OH]NO 3 at 463−523 K and 27.5 MPa by Infrared Spectroscopy

Schoppelrei, J. W., Brill, T. B.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 104 KB

english, 1997

10

Model, Multiply Hydrogen-Bonded Water Oligomers ( N = 3−20). How Closely Can a Separable, ab Initio-Grounded Molecular Mechanics Procedure Reproduce the Results of Supermolecule Quantum Chemical Computations?

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 591 KB

english, 1997

11

Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H with trans -N 2 H 2

Chuang, Yao-Yuan, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 55 KB

english, 1997

12

IR Matrix Isolation and ab Initio Identification of Products of the Reactions of CH 3 Cl and CH 3 Br with Mg

Solov'ev, Viktor N., Sergeev, Gleb B., Nemukhin, Alexandr V., Burt, Stanley K., Topol, Igor A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 306 KB

english, 1997

13

A Kinetic and Product Study of the Hydrolysis of ClONO 2 on Type Ia Polar Stratospheric Cloud Materials at 185 K

Barone, Stephen B., Zondlo, Mark A., Tolbert, Margaret A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 201 KB

english, 1997

14

Bimolecular Reaction Dynamics of Thiophosgene with O( 3 P) Atoms

Ravichandran, K., Ayala, Idelisa, Ishikawa, Yasuyuki, Weiner, Brad R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 183 KB

english, 1997

15

Direct Measurement of the Rate Coefficient for the CH 2 C(CH 3 )C(O)O 2 + NO Reaction Using Chemical Ionization Mass Spectrometry

de Gouw, Joost A., Howard, Carleton J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 132 KB

english, 1997

16

A Contribution to the Understanding of Carbonyl Migration in Mn 2 (CO) 10 via the Pairwise Exchange Mechanism

Decker, Stephen A., Donini, Oreola, Klobukowski, Mariusz

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 144 KB

english, 1997

17

Assessment of Modified Gaussian-2 (G2) and Density Functional Theories for Molecules Containing Third-Row Atoms Ga−Kr †

Redfern, P. C., Blaudeau, J.-P., Curtiss, L. A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 93 KB

english, 1997

18

Structure, Bonding, and Heats of Formation of Silatitanacyclobutanes

Glezakou, Vassiliki-Alexandra, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 155 KB

english, 1997

19

Sensitivity-Enhanced Quadrupolar-Echo NMR of Half-Integer Quadrupolar Nuclei. Magnitudes and Relative Orientation of Chemical Shielding and Quadrupolar Coupling Tensors

Larsen, Flemming H., Jakobsen, Hans J., Ellis, Paul D., Nielsen, Niels Chr.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 275 KB

english, 1997

20

Ab Initio and Nonlocal Density Functional Study of 1,3,5-Trinitro- s -triazine (RDX) Conformers

Rice, Betsy M., Chabalowski, Cary F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 233 KB

english, 1997

21

Zero Kinetic Energy (ZEKE) Photoelectron Spectroscopic Study of Thioanisole and Its van der Waals Complexes with Argon

Vondrák, Tomáš, Sato, Shin-ichiro, Špirko, Vladimír, Kimura, Katsumi

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 256 KB

english, 1997

22

Investigation of the Excited-State Dynamics of Radical Ions in the Condensed Phase Using the Picosecond Transient Grating Technique

Gumy, Jean-Claude, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 157 KB

english, 1997

23

Infrared and Raman Spectra, Conformational Stability, ab Initio Calculations, and Vibrational Assignments for Cyclopropylchlorosilane

Gounev, T. K., Weston, Jeffery W., Shen, Shiyu, Dakkouri, M., Grunvogel-Hurst, A., Durig, J. R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 272 KB

english, 1997

24

Is an Extremely Low-Field Proton Signal in the NMR Spectrum Conclusive Evidence for a Low-Barrier Hydrogen Bond?

Garcia-Viloca, Mireia, Gelabert, Ricard, González-Lafont, Angels, Moreno, Miquel, Lluch, José M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 193 KB

english, 1997

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