Volume 116; Issue 42

Journal of Physical Chemistry A

Volume 116; Issue 42

1

Improved Mode Assignment for Molecular Crystals Through Anisotropic Terahertz Spectroscopy

Singh, Rohit, George, Deepu Koshy, Benedict, Jason B., Korter, Timothy M., Markelz, Andrea G.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.20 MB

english, 2012

2

Density Functional Study on the Cytochrome-Mediated S -Oxidation: Identification of Crucial Reactive Intermediate on the Metabolic Path of Thiazolidinediones

Taxak, Nikhil, Dixit, Vaibhav A., Bharatam, Prasad V.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.96 MB

english, 2012

3

Abnormal Enhancement of the Photoisomerization Process in a trans -Nitroalkoxystilbene Dimer Sequestered in β-Cyclodextrin Cavities

Hobeika, Nelly, Malval, Jean-Pierre, Chaumeil, Hélène, Roucoules, Vincent, Morlet-Savary, Fabrice, Le Nouen, Didier, Gritti, Fabrice

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.65 MB

english, 2012

4

Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene

Gadzhiev, Oleg B., Ignatov, Stanislav K., Krisyuk, Boris E., Maiorov, Alexey V., Gangopadhyay, Shruba, Masunov, Artëm E.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

5

An ab Initio Investigation of Fluorobromo Carbene

Sun, Erping, Li, Rui, Sun, Qixiang, Wei, Changli, Xu, Haifeng, Yan, Bing

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 290 KB

english, 2012

6

Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

Walewski, Łukasz, Smaga, Artur, Lesyng, Bogdan, Sadlej, Joanna

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

7

Exciton Dynamics in Disordered Poly( p -phenylenevinylene). 2. Exciton Diffusion

Barford, William, Bittner, Eric R., Ward, Alec

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.30 MB

english, 2012

8

Alternate Coupling Mechanism for Dynamical Quorum Sensing

Singh, Harpartap, Parmananda, P.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 870 KB

english, 2012

9

Shock Induced Chemistry In Liquids Studied With Ultrafast Dynamic Ellipsometry And Visible Transient Absorption Spectroscopy

Dang, N. C., Bolme, C. A., Moore, D. S., McGrane, S. D.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 4.85 MB

english, 2012

10

Simulations of Shocked Methane Including Self-Consistent Semiclassical Quantum Nuclear Effects

Qi, Tingting, Reed, Evan J.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.40 MB

english, 2012

11

Product Channels of the CN + HCNO Reaction

Feng, Wenhui, Hershberger, John F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 775 KB

english, 2012

12

Detection of the Far-IR ν 12 Bending Level in Propargyl: A Complete Set of Fundamentals for an Important Radical

Zhang, Xu, Sander, Stanley P., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 582 KB

english, 2012

13

Computational Study of Xe(OH) 4 , XeO(OH) 3– , and XeO 2 (OH) 22–

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 750 KB

english, 2012

14

Exciton Dynamics in Disordered Poly( p -phenylenevinylene). 1. Ultrafast Interconversion and Dynamical Localization

Tozer, Oliver Robert, Barford, William

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.03 MB

english, 2012

15

Reply to “Comment on '308 nm Photolysis of Nitric Acid in the Gas Phase, on Aluminum Surfaces, and on Ice Films'”

Zhu, Chengzhu, Xiang, Bin, Chu, Liang T., Zhu, Lei

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 142 KB

english, 2012

16

Photoelectron Imaging and Theoretical Calculations of Bimetallic Clusters: AgCu – , AgCu 2– , and Ag 2 Cu –

Xie, Hua, Li, Xiaoyi, Zhao, Lijuan, Qin, Zhengbo, Wu, Xia, Tang, Zichao, Xing, Xiaopeng

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.72 MB

english, 2012

17

Kinetic Study of the Gas Phase Reactions of a Series of Alcohols with the NO 3 Radical

Moreno, Alberto, Salgado, M. Sagrario, Martín, M. Pilar, Martínez, Ernesto, Cabañas, Beatriz

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 950 KB

english, 2012

18

The Correct Physical Basis of Protobranching Stabilization

Bartell, Lawrence S.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 335 KB

english, 2012

19

Electron Attachment to C 7 F 14 , Thermal Detachment from C 7 F 14– , the Electron Affinity of C 7 F 14 , and Neutralization of C 7 F 14– by Ar +

Miller, Thomas M., Friedman, Jeffrey F., Shuman, Nicholas S., Ard, Shaun G., Melko, Joshua J., Viggiano, A. A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1011 KB

english, 2012

20

Temperature Variation of Ultralow Frequency Modes and Mean Square Displacements in Solid Lasamide (Diuretic Drug) Studied by 35 Cl-NQR, X-ray and DFT/QTAIM

Latosińska, Jolanta Natalia, Latosińska, Magdalena, Kasprzak, Jerzy, Tomczak, Magdalena, Maurin, Jan Krzysztof

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.25 MB

english, 2012

21

Kinetics of the Reversible Reaction of CO 2 (aq) and HCO 3– with Sarcosine Salt in Aqueous Solution

Xiang, Qunyang, Fang, Mengxiang, Yu, Hai, Maeder, Marcel

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.89 MB

english, 2012

22

Explicit Spectral Response of the Geometrical Isomers of a Bio-Active Pyrazoline Derivative Encapsulated in β-Cyclodextrin Nanocavity: A Photophysical and Quantum Chemical Analysis

Mati, Soumya Sundar, Sarkar, Sunandan, Sarkar, Pranab, Bhattacharya, Subhash Chandra

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.87 MB

english, 2012

23

Influence of Temperature on the Heterogeneous Reaction of Formic Acid on α-Al 2 O 3

Wu, Ling-Yan, Tong, Sheng-Rui, Hou, Si-Qi, Ge, Mao-Fa

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

24

Comment on “308 nm Photolysis of Nitric Acid in the Gas Phase, on Aluminum Surfaces, and on Ice Films”

Tadić, Jovan M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 137 KB

english, 2012

25

Interaction Energies of CO 2 ·Amine Complexes: Effects of Amine Substituents

Jorgensen, Kameron R., Cundari, Thomas R., Wilson, Angela K.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.09 MB

english, 2012

26

Issue Publication Information

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 138 KB

english, 2012

27

Issue Editorial Masthead

Journal:

Journal of Physical Chemistry A

Year:

2012

File:

PDF, 107 KB

2012

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