Volume 115; Issue 51

Journal of Physical Chemistry A

Volume 115; Issue 51

1

Modeling Molecular Acidity with Electronic Properties and Hammett Constants for Substituted Benzoic Acids

Huang, Ying, Liu, Lianghong, Liu, Wanhui, Liu, Shaogang, Liu, Shubin

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.73 MB

english, 2011

2

Hammett Correlations in the Chemistry of 3-Phenylpropyl Radicals

Modglin, James D., Erdely, Victoria K., Lin, Ching Yeh, Coote, Michelle L., Poole, James S.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.85 MB

english, 2011

3

Correction to “Development of a Mechanism for Nitrate Photochemistry in Snow”

Jacobi, Hans-Werner

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 968 KB

english, 2011

4

Optical Absorption and Emission Properties of Fluoranthene, Benzo[ k ]fluoranthene, and Their Derivatives. A DFT Study

Saranya, G., Kolandaivel, P., Senthilkumar, K.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.87 MB

english, 2011

5

Hemibonding of Hydroxyl Radical and Halide Anion in Aqueous Solution

Yamaguchi, Makoto

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.34 MB

english, 2011

6

Coordination Numbers of Hydrated Divalent Transition Metal Ions Investigated with IRPD Spectroscopy

O’Brien, Jeremy T., Williams, Evan R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.58 MB

english, 2011

7

Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)

Mitoraj, Mariusz Paweł

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.77 MB

english, 2011

8

Dithizone and Its Oxidation Products: A DFT, Spectroscopic, and X-ray Structural Study

von Eschwege, Karel G., Conradie, Jeanet, Kuhn, Annemarie

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.80 MB

english, 2011

9

Skeletal Isomerization of Butene in Ferrierite: Assessing the Energetic and Structural Differences between Carbenium and Alkoxide Based Pathways

Gleeson, Duangkamol

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.74 MB

english, 2011

10

Characterizing the Rovibrational Distribution of CD 2 CD 2 OH Radicals Produced via the Photodissociation of 2-Bromoethanol- d 4

Womack, Caroline C., Booth, Ryan S., Brynteson, Matthew D., Butler, Laurie J., Szpunar, David E.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.72 MB

english, 2011

11

Emission Mechanism of Polyatomic Ions Cs 2 Cl + and Cs 2 BO 2+ in Thermal Ionization Mass Spectrometry with Various Carbon Materials

Wei, Hai-Zhen, Jiang, Shao-Yong, Hemming, Gary N., Yang, Jing-Hong, Xiao, Ying-Kai, Yang, Tao, Yan, Xiong, Yan, Yan

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.76 MB

english, 2011

12

Charge-Displacement Analysis of the Interaction in the Ammonia–Noble Gas Complexes

Bistoni, Giovanni, Belpassi, Leonardo, Tarantelli, Francesco, Pirani, Fernando, Cappelletti, David

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.55 MB

english, 2011

13

Thermodynamic Properties of Arsenic Compounds and the Heat of Formation of the As Atom from High Level Electronic Structure Calculations

Feller, David, Vasiliu, Monica, Grant, Daniel J., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.19 MB

english, 2011

14

Reactions of Late Lanthanide Metal Atoms and Methanol in Solid Argon: A Matrix Isolation Infrared Spectroscopic and Theoretical Study

Gong, Yu, Andrews, Lester, Chen, Mingyang, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.01 MB

english, 2011

15

Energy Relaxation Dynamics of the Hydration Complex of Hydroxide

Liu, Liyuan, Hunger, Johannes, Bakker, Huib J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

16

Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants

Alecu, I. M., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.45 MB

english, 2011

17

Performance of Conventional and Range-Separated Hybrid Density Functionals in Calculations of Electronic Circular Dichroism Spectra of Transition Metal Complexes

Rudolph, Mark, Autschbach, Jochen

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.43 MB

english, 2011