Volume 109; Issue 18

Journal of Physical Chemistry A

Volume 109; Issue 18

1

Exploring Two-State Reactivity Pathways in the Cycloaddition Reactions of Triplet Methylene

Pérez, Patricia, Andrés, J., Safont, V. S., Contreras, Renato, Tapia, O.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 234 KB

english, 2005

2

Exciton Mobility and Trapping in a MALDI Matrix

Setz, Patrick D., Knochenmuss, Richard

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 141 KB

english, 2005

3

An Ab Initio and Density Functional Theory Study of Keto−Enol Equilibria of Hydroxycyclopropenone in Gas and Aqueous Solution Phase

Paine, S. W., Kresge, A. J., Salam, A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 50 KB

english, 2005

4

The Vibration−Rotation Emission Spectrum of Gaseous HZnCl

Yu, Shanshan, Shayesteh, Alireza, Fu, Dejian, Bernath, Peter F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 71 KB

english, 2005

5

Theoretical Studies on the Intramolecular Hydrogen Bond and Tautomerism of 8-Mercaptoquinoline in the Gaseous Phase and in Solution Using Modern DFT Methods

Shchavlev, Andrew E., Pankratov, Alexei N., Shalabay, Alexei V.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 248 KB

english, 2005

6

Chemistry of Star-Forming Regions

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 587 KB

english, 2005

7

Rate Constants for the Reactions of a Series of Alkylperoxy Radicals with NO

Xing, Jia-Hua, Miyoshi, Akira

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 97 KB

english, 2005

8

Dissociation Channels of the 1-Buten-2-yl Radical and Its Photolytic Precursor 2-Bromo-1-butene

Miller, Johanna L., Krisch, Maria J., Butler, Laurie J., Shu, Jinian

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 230 KB

english, 2005

9

Stabilization of Zwitterions in Solution: GABA Analogues

Crittenden, Deborah L., Chebib, Mary, Jordan, Meredith J. T.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 470 KB

english, 2005

10

Infrared Spectroscopy of the Intramolecular Hydrogen Bond in Acethylacetone: A Computational Approach

Matanović, I., Došlić, N.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 351 KB

english, 2005

11

Theoretical Study of the Structure and Bonding in Bridgehead Diphosphines

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 80 KB

english, 2005

12

Odd−Even Oscillations in First Hyperpolarizability of Dipolar Chromophores: Role of Conformations of Spacers

Datta, Ayan, Pati, Swapan K., Davis, Daly, Sreekumar, K.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 229 KB

english, 2005

13

Theoretical Studies of Nuclear Magnetic Resonance Parameters for the Proton-Exchange Pathways in Porphyrin and Porphycene

Cybulski, Hubert, Pecul, Magdalena, Helgaker, Trygve, Jaszuński, Michał

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 241 KB

english, 2005

14

Polymorphism of Crystalline α-Quaterthiophene and α-Sexithiophene: Ab Initio Analysis and Comparison with Inelastic Neutron Scattering Response

Hermet, P., Bantignies, J.-L., Rahmani, A., Sauvajol, J.-L., Johnson, M. R.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

15

Origin of Activation Barriers in the Dimerization of Neutral Radicals: A “Nonperfect Synchronization” Effect?

Costentin, Cyrille, Savéant, Jean-Michel

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

16

Explanation of Spin−Lattice Relaxation Rates of Spin Labels Obtained with Multifrequency Saturation Recovery EPR

Mailer, Colin, Nielsen, Robert D., Robinson, Bruce H.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 322 KB

english, 2005

17

Quantum Chemical Study on Excited States and Electronic Coupling Matrix Element in a Catechol−Bridge−Dicyanoethylene System

He, Rong-Xing, Duan, Xiao-Hui, Li, Xiang-Yuan

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 181 KB

english, 2005

18

CH Stretching Vibrational Overtone Spectra of tert -Butylbenzene, tert -Butyl Chloride, and tert -Butyl Iodide

Petryk, Michael W. P., Henry, Bryan R.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 149 KB

english, 2005

19

C 2 h (B n E m Si) 2 H 2 Molecules (E = B, C, Si; n = 3−6; m = 1, 2) Containing Double Planar Tetra-, Penta-, and Hexacoordinate Silicons

Li, Si-Dian, Guo, Jin-Chang, Miao, Chang-Qing, Ren, Guang-Ming

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 293 KB

english, 2005

20

Properties of Ternary Insulating Systems: The Electronic Structure of MgSO 4 ·H 2 O

Maslyuk, V. V., Tegenkamp, C., Pfnür, H., Bredow, T.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 436 KB

english, 2005

21

Methyl Cation Affinities of Rare Gases and Nitrogen and the Heat of Formation of Diazomethane

Dixon, David A., de Jong, Wibe A., Peterson, Kirk A., McMahon, Terrance B.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 70 KB

english, 2005

22

Study of Lithium Cation in Water Clusters: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics

Li, Xin, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 210 KB

english, 2005

23

CH-stretching Overtone Spectra of a Fast Rotating Methyl Group: 2-CH 3 and 2-CHD 2 Pyridines

Cavagnat, D., Lespade, L.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 267 KB

english, 2005