Volume 105; Issue 46

Journal of Physical Chemistry A

Volume 105; Issue 46

1

Computational Studies of the Ground and Excited State Potentials of DMSO and H2SO: Relevance to Photostereomutation

Cubbage, Jerry W., Jenks, William S.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 256 KB

english, 2001

2

Structure and Stability of Water Clusters (H2O)n, n = 8−20: An Ab Initio Investigation

Kulkarni, Anant D., Gadre, Shridhar R., Maheshwary, Shruti, Patel, Nitin, Sathyamurthy, Narayanasami

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 334 KB

english, 2001

3

Influence of Hybridization and Substitution on the Properties of the CH···O Hydrogen Bond

Scheiner, Steve, Grabowski, Sławomir J., Kar, Tapas

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 70 KB

english, 2001

4

Variational Transition State Calculations of the CH 2 F 2 + OH Hydrogen Abstraction Reaction

González-Lafont, Angels, Lluch, José M., Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 130 KB

english, 2001

5

Hartree−Fock Dispersion Probe of the Equilibrium Structures of Small Microclusters of Benzene and Naphthalene: Comparison with Second-Order MØeller−Plesset Geometries

Gonzalez, Carlos, Allison, Thomas C., Lim, Edward C.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 52 KB

english, 2001

6

Raman Spectrum of the Phenyl Radical #

Łapiński, Andrzej, Spanget-Larsen, Jens, Langgård, Morten, Waluk, Jacek, Radziszewski, J. George

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 75 KB

english, 2001

7

Electron Emission from N(BF 3 ) 43- Hindered by a Sphere of Negative Charges

Dreuw, A., Cederbaum, L. S.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 119 KB

english, 2001

8

A Pulsed Laser Photolysis−Pulsed Laser Induced Fluorescence Study of the Kinetics of the Gas-Phase Reaction of OH with NO 2

D'Ottone, L., Campuzano-Jost, P., Bauer, D., Hynes, A. J.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 81 KB

english, 2001

9

Efficient Catalysis of Rare-Earth Metal Ions in Photoinduced Electron-Transfer Oxidation of Benzyl Alcohols by a Flavin Analogue

Fukuzumi, Shunichi, Yasui, Kiyomi, Suenobu, Tomoyoshi, Ohkubo, Kei, Fujitsuka, Mamoru, Ito, Osamu

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 147 KB

english, 2001

10

Photoinduced Proton and Charge Transfers in a Dihydroxynaphthalene Derivative: Chromotropic Acid

Bardez, Elisabeth, Alain, Valérie, Destandau, Émilie, Fedorov, Aleksandre, Martinho, José M. G.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 122 KB

english, 2001

11

Absolute Rate Constant of the OH + ClO Reaction at Temperatures between 218 and 298 K

Wang, Jin Jin, Keyser, Leon F.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 87 KB

english, 2001

12

Time-Resolved Resonance Raman Study of the Reaction of Isodiiodomethane with Cyclohexene: Implications for the Mechanism of Photocyclopropanation of Olefins Using Ultraviolet Photolysis of Diiodomethane

Li, Yun-Liang, Leung, King Hung, Phillips, David Lee

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 57 KB

english, 2001

13

Disilane Internal Rotation

Pophristic, Vojislava, Goodman, Lionel, Wu, Cheryl T.

Journal:

Journal of Physical Chemistry A

Année:

2001

Fichier:

PDF, 4 KB

2001

14

Kinetics of Ice Particle Conversion to the Hydrates of HCl

Uras-Aytemiz, Nevin, Joyce, Charles, Devlin, J. P.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 60 KB

english, 2001

15

Symmetry and Local Mode Coupling in Absorption and Raman Spectroscopy of Intervalence Electronic Transitions

Talaga, David S., Zink, Jeffrey I.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 197 KB

english, 2001

16

Time-Resolved Resonance Raman and Density Functional Studies on the Ground State and Short-Lived Intermediates of Tetrabromo- p -benzoquinone

Puranik, Mrinalini, Chandrasekhar, Jayaraman, Snijders, Jaap G., Umapathy, Siva

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 88 KB

english, 2001

17

On the Electronic Structure of the UO 2 Molecule

Gagliardi, Laura, Roos, Björn O., Malmqvist, Per-Åke, Dyke, John M.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 54 KB

english, 2001

18

Ab Initio Study of the Two Iso-electronic Molecules NpO 4- and UO 42-

Bolvin, Hélène, Wahlgren, Ulf, Gropen, Odd, Marsden, Colin

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 141 KB

english, 2001

19

Theoretical Study of the Hydrogen Bond Energy of Base Pairs Formed between Substituted 1-Methylcytosine Derivatives and 9-Methylguanine

Kawahara, Shun-ichi, Kobori, Akio, Sekine, Mitsuo, Taira, Kazunari, Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 95 KB

english, 2001