Volume 103; Issue 51

Journal of Physical Chemistry A

Volume 103; Issue 51

1

Metal-Stabilized Rare Tautomers and Mispairs of DNA Bases: N6-Metalated Adenine and N4-Metalated Cytosine, Theoretical and Experimental Views

Šponer, Jiří, Šponer, Judit E., Gorb, Leonid, Leszczynski, Jerzy, Lippert, Bernhard

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 270 KB

english, 1999

2

High-Frequency Electron Paramagnetic Resonance Studies of VO 2+ in Low-Temperature Glasses

Mustafi, Devkumar, Galtseva, Elena V., Krzystek, J., Brunel, Louis-Claude, Makinen, Marvin W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 153 KB

english, 1999

3

Fundamental Studies on the Structure and Spectroscopic Behavior of Phenol Blue

Morley, John O., Fitton, Ann L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 124 KB

english, 1999

4

The Dimer of Acetylene and the Dimer of Diacetylene: A Floppy and a Very Floppy Molecule

Karpfen, Alfred

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 168 KB

english, 1999

5

Deformation of Poly(dimethylsiloxane) Oligomers under Uniaxial Tension: Quantum Chemical View

Nikitina, E. A., Khavryutchenko, V. D., Sheka, E. F., Barthel, H., Weis, J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 511 KB

english, 1999

6

A DFT Characterization of the Mechanism for the Cycloaddition Reaction between 2-Methylfuran and Acetylenedicarboxylic Acid

Domingo, Luis R., Picher, M. Teresa, José Aurell, M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 152 KB

english, 1999

7

Investigation of Cu 2+ Hydration and the Jahn−Teller Effect in Solution by QM/MM Monte Carlo Simulations

Marini, Gerhard W., Liedl, Klaus R., Rode, Bernd M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

8

Oxidation of Arylcyclopropanes in Solution and in a Zeolite: Structure and Rearrangement of the Phenylcyclopropane Radical Cation

Roth, Heinz D., Herbertz, Torsten, Lakkaraju, Prasad S., Sluggett, Gregory, Turro, Nicholas J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 235 KB

english, 1999

9

Theoretical Thermochemistry of the 1-Buten-3-yn-1-yl Radical and Its Chloro Derivatives

Cioslowski, Jerzy, Liu, Guanghua, Moncrieff, David

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 33 KB

english, 1999

10

Experimental Determination of the Dependence of OH Radical Yield on Photon Energy: A Comparison with Theoretical Simulations

Fulford, J., Bonner, P., Goodhead, D. T., Hill, M. A., O'Neill,

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 89 KB

english, 1999

11

Dissociation Pathways of Peroxyacetyl Nitrate (PAN)

Miller, Charles E., Lynton, Julia I., Keevil, Derek M., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 79 KB

english, 1999

12

Using Locally Dense Basis Sets for the Determination of Molecular Properties

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 154 KB

english, 1999

13

New Methods for Estimating the Heats of Formation, Heat Capacities, and Entropies of Liquids and Gases

Benson, Sidney W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 46 KB

english, 1999

14

Dual-Level Direct Dynamics of the Hydroxyl Radical Reaction with Ethane and Haloethanes: Toward a General Reaction Parameter Method

Cory, M. G., Bartlett, R. J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 183 KB

english, 1999

15

Matrix Isolation and Density Functional Study of the Reaction of OVCl 3 with CH 3 OH: Synthesis and Characterization of Cl 2 V(O)OCH 3

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 78 KB

english, 1999

16

Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules. IR Multiple-Photon Absorption in SF 6 . 1. Experimental Studies

Lokhman, V. N., Petin, A. N., Ryabov, E. A., Letokhov, V. S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 140 KB

english, 1999

17

Experimental and Theoretical Studies of Metal Cation−Pyridine Complexes Containing Cu and Ag

Yang, Yuh-Sheng, Hsu, Wen-Yi, Lee, Hsiu-Fang, Huang, Ya-Chien, Yeh, Chen-Sheng, Hu, Ching-Han

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

18

Structure and Conformation of Furfurylamine Determined by Gas-Phase Electron Diffraction, Microwave Spectroscopy Data, and ab Initio Molecular Orbital Calculations

Hagen, Kolbjørn, Postmyr, Lasse

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 73 KB

english, 1999

19

Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO 2 and HS + O 2

Goumri, A., Rocha, John-David R., Laakso, Dianna, Smith, C. E., Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

20

Bond-Coupled Electron Transfer Reactions: Photoisomerization of Norbornadiene to Quadricyclane

Cuppoletti, A., Dinnocenzo, J. P., Goodman, J. L., Gould, I. R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 44 KB

english, 1999

21

Scaling Factors for the Prediction of the Frequencies of the Ring Modes in Benzene Derivatives

Palafox, Mauricio Alcolea

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 141 KB

english, 1999

22

Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules. IR Multiple-Photon Absorption in SF 6 . 2. Theoretical Simulation and Comparison with Experiment

Lokhman, V. N., Makarov, A. A., Petrova, I. Yu., Ryabov, E. A., Letokhov, V. S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 164 KB

english, 1999

23

Ab Initio MO and Density Functional Theory Study of Substituent Effects on Electron Attachment to Benzyl Chlorides

Dem'yanov, Piotr I., Myshakin, Eugene M., Boche, Gernot, Petrosyan, Valery S., Alekseiko, Leonid N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 68 KB

english, 1999

24

Kinetic Investigation of the Reactions of Mg( 1 S), Ca( 1 S), and Sr( 1 S) Atoms with NO 2 over the Temperature Ranges 303−836, 303−916, and 303−986 K, Respectively

Vinckier, Chris, Helaers, Joëlle, Christiaens, Piet, Remeysen, Jan

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

25

Vapor Supersaturation in Collapsing Bubbles. Relevance to the Mechanisms of Sonochemistry and Sonoluminescence

Colussi, A. J., Hoffmann, M. R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 49 KB

english, 1999

26

Production of SiO and Si( 3 P) Atom in the Reaction of Silane with O( 1 D)

Takahara, Atsuko, Tezaki, Atsumu, Matsui, Hiroyuki

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

27

Microscopic Based Density Matrix Treatments of Electron-Transfer Reactions in Condensed Phases

Jen, Chienyu F., Warshel, Arieh

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

28

Rotational Spectrum and Internal Rotation of Tricarbonyl(isoprene) Iron

Indris, O., Stahl, W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 66 KB

english, 1999

29

Femtosecond Laser Ablation of Liquid Toluene: Molecular Mechanism Studied by Time-Resolved Absorption Spectroscopy

Hatanaka, Koji, Itoh, Tamitake, Asahi, Tsuyoshi, Ichinose, Nobuyuki, Kawanishi, Shunichi, Sasuga, Tsuneo, Fukumura, Hiroshi, Masuhara, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 127 KB

english, 1999

30

Near-Field Scanning Optical Microscopy of Single Fluorescent Dendritic Molecules

Veerman, Joost A., Levi, Stefano A., van Veggel, Frank C. J. M., Reinhoudt, David N., van Hulst, Niek F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 755 KB

english, 1999

31

DNP and CIDEP Study of Cross-Relaxation Processes in Short-Lived Radicals in Solution

Bagryanskaya, Elena G., Ananchenko, Gennady S., Nagashima, Toshio, Maeda, Kiminori, Milikisyants, Sergei, Paul, Henning

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 105 KB

english, 1999

32

Kinetics of the NCS Radical

Baren, Randall E., Hershberger, John F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 62 KB

english, 1999

33

A Theoretical Investigation of Benzene−AlX 3 and Ethene−AlX 3 (X = H, F, Cl) Interactions

Tarakeshwar, P., Kim, Kwang S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 10 KB

english, 1999