Volume 101; Issue 10

Journal of Physical Chemistry A

Volume 101; Issue 10

1

Structures of Silicon-Doped Carbon Clusters

Fye, James L., Jarrold, Martin F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 214 KB

english, 1997

2

Absorption and Fluorescence Studies of Acridine in Subcritical and Supercritical Water

Ryan, E. Todd, Xiang, Tao, Johnston, Keith P., Fox, Marye Anne

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 603 KB

english, 1997

3

Photoinduced Electron Transfer and Geminate Recombination in Liquids

Weidemaier, Kristin, Tavernier, H. L., Swallen, S. F., Fayer, M. D.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 483 KB

english, 1997

4

Dipole−Dipole Electronic Energy Transfer. Fluorescence Decay Functions for Arbitrary Distributions of Donors and Acceptors. II. Systems with Spherical Symmetry

Yekta, A., Winnik, M. A., Farinha, J. P. S., Martinho, J. M. G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 154 KB

english, 1997

5

Radiolytic Reduction of a Water-Soluble Fullerene Cluster

Guldi, Dirk M., Hungerbühler, Hartmut, Asmus, Klaus-Dieter

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 137 KB

english, 1997

6

Assessment of Basis Set and Functional Dependencies in Density Functional Theory: Studies of Atomization and Reaction Energies

Martell, Jaime M., Goddard, John D., Eriksson, Leif A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 117 KB

english, 1997

7

Neutron Inelastic Scattering, Optical Spectroscopies, and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases. 2. Thymine

Aamouche, A., Ghomi, M., Coulombeau, C., Grajcar, L., Baron, M. H., Jobic, H., Berthier, G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 205 KB

english, 1997

8

New Isomers of N 8 without Double Bonds

Tian, Anmin, Ding, Fujiang, Zhang, Liangfu, Xie, Yaoming, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 103 KB

english, 1997

9

Transition Energies and Emission Oscillator Strengths of Helium in Model Plasma Environments

Lopez, X., Sarasola, C., Ugalde, J. M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 100 KB

english, 1997

10

Deuterium Kinetic Isotope Effect and Temperature Dependence in the Reactions of CH[ 2 Π] with Methane and Acetylene

Thiesemann, Holger, MacNamara, John, Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 193 KB

english, 1997

11

Quantitative EPR Spin Trapping. 1. Nitrogen Dioxide Radicals and Nitrite Ions from Energetic Materials in Alkaline Aqueous Solution

Pace, M. D., Carmichael, A. J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 349 KB

english, 1997

12

Kinetics of Cl Atom Reactions with Methane, Ethane, and Propane from 292 to 800 K

Pilgrim, Jeffrey S., McIlroy, Andrew, Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 195 KB

english, 1997

13

Polar Effect in Hydrogen Abstraction Reactions from Halo-Substituted Methanes by Methyl Radical: A Comparison between Hartree−Fock, Perturbation, and Density Functional Theories

Bernardi, Fernando, Bottoni, Andrea

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

14

Anisotropy of Molecular Reorientation in Pure Liquid Benzene Using Nuclear Relaxation of the Longitudinal 13 C− 1 H Two-Spin Order

Python, Hélène, Mutzenhardt, Pierre, Canet, Daniel

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 184 KB

english, 1997

15

Real-Time Kinetics of the Uptake of ClONO 2 on Ice and in the Presence of HCl in the Temperature Range 160 K ≤ T ≤ 200 K

Oppliger, R., Allanic, A., Rossi, M. J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 253 KB

english, 1997

16

Methyl Loss Kinetics of Energy-Selected 1,3-Butadiene and Methylcyclopropene Cations

Keister, Jeffrey W., Baer, Tomas, Evans, Matt, Ng, C. Y., Hsu, Chia-Wei

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 220 KB

english, 1997

17

Infrared Spectroscopy of (Phenol) n + ( n = 2−4) and (Phenol−Benzene) + Cluster Ions

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

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 134 KB

english, 1997

18

Quantum Mechanics and Molecular Mechanics Studies of the Low-Energy Conformations of 9-Crown-3

Anderson, Wayne P., Behm, Philip, Glennon, Timothy M., Zerner, Michael C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 359 KB

english, 1997

19

Theoretical Study of the Elimination Kinetics of Carboxylic Acid Derivatives in the Gas Phase. Decomposition of 2-Chloropropionic Acid

Safont, Vicent S., Moliner, Vicente, Andrés, Juan, Domingo, Luís R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 167 KB

english, 1997

20

Rydberg Complexes of Methyl Chloride Characterized by (2+1) and (3+1) Resonance-Enhanced Multiphoton Ionization

Szarka, Michael G., Green, David S., Cramb, David T., Wallace, Stephen C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 223 KB

english, 1997

21

Vibrational Spectroscopy of Small Matrix-Isolated Linear Carbon Cluster Anions

Szczepanski, Jan, Ekern, Scott, Vala, Martin

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 254 KB

english, 1997

22

Atomic Sulfur and Chlorine Interaction with Pd n Clusters ( n = 1−6): A Density Functional Study

Valerio, Gabriele, Toulhoat, Hervé

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 204 KB

english, 1997

23

MSX Force Field and Vibrational Frequencies for BEDT-TTF (Neutral and Cation)

Demiralp, Ersan, Dasgupta, Siddharth, Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 178 KB

english, 1997

24

Classical and Quantum Simulations of Tryptophan in Solution

Simonson, Thomas, Wong, Chung F., Brünger, Axel T.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 270 KB

english, 1997

25

Micromixing Effects on Autocatalytic Reactions in a Stirred Tank: The Random Replacement IEM Model

Lee, D. J., Chang, P. C., Mou, C. Y.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 123 KB

english, 1997

26

Infrared Spectrum and Structure of Me 2 TiCl 2 and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl 3 and Me 2 TiCl 2

McGrady, G. Sean, Downs, Anthony J., Bednall, Neil C., McKean, Donald C., Thiel, Walter, Jonas, Volker, Frenking, Gernot, Scherer, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 332 KB

english, 1997

27

Ab Initio Study of the Hydrogen Bonding between Pyrrole and Hydrogen Fluoride: A Comparison of NH···F and FH···π Interactions

Jiang, J. C., Tsai, M.-H.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 185 KB

english, 1997

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