Volume 109; Issue 27

Journal of Physical Chemistry A

Volume 109; Issue 27

1

Orbital Interactions and Their Effects on 13 C NMR Chemical Shifts for 4,6-Disubstituted-2,2-dimethyl-1,3-dioxanes. A Theoretical Study

Tormena, Cláudio F., Dias, Luiz C., Rittner, Roberto

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 110 KB

english, 2005

2

A Two Transition State Model for Radical−Molecule Reactions: A Case Study of the Addition of OH to C 2 H 4

Greenwald, Erin E., North, Simon W., Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

3

Modular Approach toward Supramolecular Functional Assemblies: Characterization of Donor−Spacer−Acceptor Ternary Complexes

Otsuki, Joe, Narita, Tomoko, Tsutsumida, Kazuhiro, Takatsuki, Masayuki, Kaneko, Motomu

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 182 KB

english, 2005

4

Stiffness and Raman Intensity: a Conceptual and Computational DFT Study

Torrent-Sucarrat, Miquel, De Proft, Frank, Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 85 KB

english, 2005

5

The Reaction of Acetylene with Hydroxyl Radicals

Senosiain, Juan P., Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 263 KB

english, 2005

6

Time-Dependent Density Functional Molecular Orbital and Excited State Calculations on Bis(porphyrinyl)butadiynes in the Monocationic, Neutral, Monoanionic, and Dianionic Oxidation States

Wilson, Gregory J., Arnold, Dennis P.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 349 KB

english, 2005

7

C−O Bond Cleavage of Benzophenone Substituted by 4-CH 2 OR (R= C 6 H 5 and CH 3 ) with Stepwise Two-Photon Excitation

Cai, Xichen, Sakamoto, Masanori, Yamaji, Minoru, Fujitsuka, Mamoru, Majima, Tetsuro

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 119 KB

english, 2005

8

Direct Observation of Adduct Formation of Alkyl and Aromatic Iodides with Cl Atoms Using Cavity Ring-Down Spectroscopy

Enami, Shinichi, Yamanaka, Takashi, Hashimoto, Satoshi, Kawasaki, Masahiro, Tonokura, Kenichi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 86 KB

english, 2005

9

Superoxide Radical Anion Adduct of 5,5-Dimethyl-1-pyrroline N -Oxide (DMPO). 1. The Thermodynamics of Formation and Its Acidity

Villamena, Frederick A., Merle, John K., Hadad, Christopher M., Zweier, Jay L.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

10

Comment on “Gas-Phase Photochemistry of the Photoactive Yellow Protein Chromophore trans - p -Coumaric Acid”

de Groot, Mattijs, Buma, Wybren Jan

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 22 KB

english, 2005

11

Superoxide Radical Anion Adduct of 5,5-Dimethyl-1-pyrroline N -Oxide (DMPO). 2. The Thermodynamics of Decay and EPR Spectral Properties

Villamena, Frederick A., Merle, John K., Hadad, Christopher M., Zweier, Jay L.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 218 KB

english, 2005

12

Photolysis of CBr 4 and Its Transient Solvent Stabilized (CBr 3+ //Br - ) Solv Ion Pair

Zhang, Hua, Dvornikov, A. S., Rentzepis, P. M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 172 KB

english, 2005

13

The Reaction of Phenyl Radical with Molecular Oxygen: A G2M Study of the Potential Energy Surface

Tokmakov, Igor V., Kim, Gap-Sue, Kislov, Vadim V., Mebel, Alexander M., Lin, Ming C.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 569 KB

english, 2005

14

Isomeric Product Distributions from the Self-Reaction of Propargyl Radicals

Tang, Weiyong, Tranter, Robert S., Brezinsky, Kenneth

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 353 KB

english, 2005

15

Excited-State Intramolecular Charge Transfer in 9-Aminoacridine Derivative

Pereira, Robson Valentim, Garcia Ferreira, Ana Paula, Gehlen, Marcelo Henrique

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 138 KB

english, 2005

16

Infrared Spectra of the OH + and H 2 O + Cations Solvated in Solid Argon

Zhou, Han, Yang, Rongjing, Jin, Xi, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 85 KB

english, 2005

17

Vacuum Ultraviolet (VUV) Photodecomposition of Urea Isolated in Cryogenic Matrix: First Detection of Isourea

Duvernay, Fabrice, Chiavassa, Thierry, Borget, Fabien, Aycard, Jean-Pierre

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 213 KB

english, 2005

18

Excited-State Proton Transfer: Indication of Three Steps in the Dissociation and Recombination Process

Leiderman, Pavel, Genosar, Liat, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 313 KB

english, 2005

19

X-ray Absorption Spectroscopy Study of the Hydrogen Bond Network in the Bulk Water of Aqueous Solutions

Näslund, Lars-Åke, Edwards, David C., Wernet, Philippe, Bergmann, Uwe, Ogasawara, Hirohito, Pettersson, Lars G. M., Myneni, Satish, Nilsson, Anders

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

20

Electronic and Structural Evolution and Chemical Bonding in Ditungsten Oxide Clusters: W 2 O n - and W 2 O n ( n = 1−6)

Zhai, Hua-Jin, Huang, Xin, Cui, Li-Feng, Li, Xi, Li, Jun, Wang, Lai-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 482 KB

english, 2005

21

Theoretical Study on the Group 2 Atoms + N 2 O Reactions

Tishchenko, Oksana, Vinckier, Christian, Ceulemans, Arnout, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 176 KB

english, 2005

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