Volume 103; Issue 25

Journal of Physical Chemistry A

Volume 103; Issue 25

1

A Simple Potential Model Criterion for the Quality of Atomic Charges

de Oliveira, Anselmo E., Guadagnini, Paulo H., Haiduke, Roberto L. A., Bruns, Roy E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 88 KB

english, 1999

2

Damped Oscillations in UV−Vis Spectra of Pentazadiene Monomers and Polymers after Laser Photolysis

Kunz, Th., Hahn, Ch., Baindl, A., Nuyken, O., Lippert, Th., Gassmann, F., Wokaun, A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 116 KB

english, 1999

3

Infrared Spectroscopic and Density Functional Theoretical Investigation of the Reaction Products of Laser-Ablated Zr, Hf, and Th Atoms with Nitric Oxide

Kushto, Gary P., Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 176 KB

english, 1999

4

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Scuseria, Gustavo E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 199 KB

english, 1999

5

Theoretical Studies on the Reaction Path Dynamics and Variational Transition-State Theory Rate Constants of the Hydrogen-Abstraction Reactions of the NH(X 3 Σ - ) Radical with Methane and Ethane

Xu, Zhen-Feng, Li, Shen-Min, Yu, Yong-Xue, Li, Ze-Sheng, Sun, Chia-Chung

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 142 KB

english, 1999

6

Reactions of Laser-Ablated Rhodium Atoms with O 2 . Infrared Spectra and DFT Calculations for RhO, ORhO, (O 2 )RhO 2 , Rh 2 O 2 , Rh(O 2 ) and (O 2 )Rh(O 2 ) in Solid Argon

Citra, Angelo, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 187 KB

english, 1999

7

Theoretical Study of Structure and Spectra of Cage Clusters (H 2 O) n , n = 7−10

Sadlej, Joanna, Buch, Victoria, Kazimirski, J. K., Buck, Udo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 222 KB

english, 1999

8

Dynamics Study of the HO( v ‘=0) + O 2 ( v ‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical

Garrido, J. D., Caridade, P. J. S. B., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 168 KB

english, 1999

9

Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen

Chuang, Yao-Yuan, Radhakrishnan, Mala L., Fast, Patton L., Cramer, Christopher J., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 203 KB

english, 1999

10

Absolute Binding Energies of Sodium Ions to Short Chain Alcohols, C n H 2 n +2 O, n = 1−4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory

Rodgers, M. T., Armentrout, P. B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

11

Effect of Water on the HNO 3 Pressure Dependence of the Reaction between Gas-Phase HNO 3 and NaCl Surfaces

Ghosal, Sutapa, Hemminger, John C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 66 KB

english, 1999

12

Rotational Spectra, Molecular Structure, and Electric Dipole Moment of Propanethial S -Oxide

Gillies, Jennifer Z., Cotter, Elizabeth, Gillies, Charles W., Warner, Hugh E., Block, Eric

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

13

Vibronic Relaxation of Polyatomic Molecule in Nonpolar Solvent: Femtosecond Anisotropy/Intensity Measurements of the S n and S 1 Fluorescence of Tetracene

Sarkar, Nilmoni, Takeuchi, Satoshi, Tahara, Tahei

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

14

High-Resolution EPR and Quantum Effects on CH 3 , CH 2 D, CHD 2 , and CD 3 Radicals under Argon Matrix Isolation Conditions

Yamada, Tomoya, Komaguchi, Kenji, Shiotani, Masaru, Benetis, Nikolas P., Sørnes, Anders R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 88 KB

english, 1999

15

Ion−Molecule Reaction Studies of Hydroxyl Cation and Ionized Water with Ethylene

Fishman, Vyacheslav N., Grabowski, Joseph J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 118 KB

english, 1999

16

Experimental and ab Initio Studies on Solid-State Hydrogen Isotope Exchange with Spillover Tritium

Zolotarev, Yurii A., Borisov, Yurii A., Myasoedov, Nikolai F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

17

Central Transition Nuclear Magnetic Resonance in the Presence of Large Quadrupole Couplings: Cobalt-59 Nuclear Magnetic Resonance of Cobaltophthalocyanines †

Medek, Ales, Frydman, Veronica, Frydman, Lucio

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999

18

X̃ 1 A 1 , ã 3 B 1 , and Ã 1 B 1 States of SiCl 2 : Ab Initio Calculations and Simulation of Emission Spectra

Chau, Foo-Tim, Wang, De-Chao, Lee, Edmond P. F., Dyke, John M., Mok, Daniel K. W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 117 KB

english, 1999

19

State-to-State Vibrational Predissociation Dynamics of the Acetylene−HCl Complex

Oudejans, L., Miller, R. E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 81 KB

english, 1999

20

The Reaction of Nitrogen Dioxide with Sea Salt Aerosol

Weis, David D., Ewing, George E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 115 KB

english, 1999

21

Onium Salt Effects on p -Terphenyl-Sensitized Photoreduction of Water to Hydrogen

Fujiwara, Hiroaki, Kitamura, Takayuki, Wada, Yuji, Yanagida, Shozo, Kamat, Prashant V.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 75 KB

english, 1999

22

Temporal Logarithmic Oscillations in Self-Similar Multilayer Aggregation: Shlesinger−Hughes Renormalization with Application to the Tunnel-Assisted Wet Oxidation of Silicon

Vlad, Marcel Ovidiu, Cerofolini, Gianfranco, Ross, John

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 241 KB

english, 1999

23

Alternative Reaction Channels and Carbene Intermediates in the Ce 4+ −Malonic Acid and Ce 4+ −Bromomalonic Acid Reactions. 1. CO 2 Measurements

Nagygyőry, Szilveszter, Wittmann, Mária, Pintér, Szilveszter, Visegrády, András, Dancsó, András, Thuy, Nguyen Bich, Noszticzius, Zoltán, Heged|$$|Auus, László, Försterling, Horst-Dieter

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 172 KB

english, 1999

24

Electron−Nucleus Resonances and Magnetic Field Accelerations in the Ortho−Para H 2 Conversion

Paris, S., Ilisca, E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 71 KB

english, 1999

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