Volume 116; Issue 49

Journal of Physical Chemistry A

Volume 116; Issue 49

1

Does Ozone–Water Complex Produce Additional OH Radicals in the Atmosphere?

Jin, Bing, Su, Man-Nung, Lin, Jim Jr-Min

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 990 KB

english, 2012

2

Relationships between DFT/RRKM Branching Ratios of the Complementary Fragment Ions [C 5 H 5 O] + and [M – C 5 H 5 O] + and Relative Abundances in the EI Mass Spectrum of N -(2-Furylmethyl)aniline

Vallejo Narváez, Wilmer E., Bacca Villota, Paula V., Solano Espinoza, Eduardo A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.04 MB

english, 2012

3

CLOPPA Analysis of the Molecular Polarizability and the Energy of Strong Intramolecular Hydrogen Bonds: Resonance Assisted?

Giribet, Claudia G., Ruiz de Azúa, Martín C.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 952 KB

english, 2012

4

Excited-State Intramolecular Proton Transfer (ESIPT) Emission of Hydroxyphenylimidazopyridine: Computational Study on Enhanced and Polymorph-Dependent Luminescence in the Solid State

Shigemitsu, Yasuhiro, Mutai, Toshiki, Houjou, Hirohiko, Araki, Koji

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.04 MB

english, 2012

5

On the Polarity of Buckminsterfullerene with a Water Molecule Inside

Ensing, Bernd, Costanzo, Francesca, Silvestrelli, Pier Luigi

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.73 MB

english, 2012

6

Low-Temperature Spectra of the Analogues of 10-Hydroxybenzo[ h ]quinoline as an Indication of Barrierless ESIPT

Deperasińska, Irena, Gryko, Daniel T., Karpiuk, Elena, Kozankiewicz, Bolesław, Makarewicz, Artur, Piechowska, Joanna

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.14 MB

english, 2012

7

Regulation of the Collisional Self-Quenching of Fluorescence in Clay/Porphyrin Complex by Strong Host–Guest Interaction

Ishida, Yohei, Shimada, Tetsuya, Tachibana, Hiroshi, Inoue, Haruo, Takagi, Shinsuke

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.19 MB

english, 2012

8

Concerted Reactions and Mechanism of Glucose Pyrolysis and Implications for Cellulose Kinetics

Seshadri, Vikram, Westmoreland, Phillip R.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.65 MB

english, 2012

9

Conformers of CL-20 Explosive and ab Initio Refinement Using Perturbation Theory: Implications to Detonation Mechanisms

Molt, Robert W., Bartlett, Rodney J., Watson, Thomas, Bazanté, Alexandre P.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.56 MB

english, 2012

10

Development and Validation of a ReaxFF Reactive Force Field for Fe/Al/Ni Alloys: Molecular Dynamics Study of Elastic Constants, Diffusion, and Segregation

Shin, Yun Kyung, Kwak, Hyunwook, Zou, Chenyu, Vasenkov, Alex V., van Duin, Adri C. T.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 681 KB

english, 2012

11

Carrier-Collision-Induced Formation of Charged Excitons and Ultrafast Dynamics Fluorescence Spectra

Chen, Ren-Ai, Wang, Cong, Li, Sheng, George, Thomas F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.19 MB

english, 2012

12

Picosecond Pulse Radiolysis Study on the Distance Dependent Reaction of the Solvated Electron with Organic Molecules in Ethylene Glycol

El Omar, Abdel Karim, Schmidhammer, Uli, Pernot, Pascal, Murata, Shigeo, Mostafavi, Mehran

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.34 MB

english, 2012

13

Temperature and Viscosity Dependence of the Nonradiative Decay Rates of Auramine-O and Thioflavin-T in Glass-Forming Solvents

Erez, Yuval, Amdursky, Nadav, Gepshtein, Rinat, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.23 MB

english, 2012

14

Predicting Properties of Organic Optoelectronic Materials: Asymptotically Corrected Density Functional Study

Rajendran, Archana, Tsuchiya, Takashi, Hirata, So, Iordanov, Tzvetelin D.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.10 MB

english, 2012

15

Detection and Characterization of Products from Photodissociation of XCH 2 CH 2 ONO (X = F, Cl, Br, OH)

Chhantyal-Pun, Rabi, Chen, Ming-Wei, Sun, Dianping, Miller, Terry A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

16

Spectroscopic Study of HNO 3 Dissociation on Ice

Marchand, Patrick, Marcotte, Guillaume, Ayotte, Patrick

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.14 MB

english, 2012

17

Holding onto Electrons in Alkali Metal Halide Clusters: Decreasing Polarizability with Increasing Coordination

Zhang, Chaofan, Andersson, Tomas, Svensson, Svante, Björneholm, Olle, Huttula, Marko, Mikkelä, Mikko-Heikki, Anin, Dmitri, Tchaplyguine, Maxim, Öhrwall, Gunnar

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.35 MB

english, 2012

18

Anharmonicity of Weakly Bound Li + –(H 2 ) n ( n = 1–3) Complexes

De Silva, Nuwan, Njegic, Bosiljka, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

19

Ab Initio Study of the Lowest-Lying Electronic States of LuCl Molecules

Hamade, Y., Bazzi, H., Sidawi, J., Taher, F., Monteil, Y.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.40 MB

english, 2012

20

Microwave Spectra, Planarity, and Conformational Preferences of cis - and trans - N -Vinylformamide

Møllendal, Harald, Samdal, Svein

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 495 KB

english, 2012

21

Evaluation of the Behavior of Uranium Peroxocarbonate Complexes in Na–U(VI)–CO 3 –OH–H 2 O 2 Solutions by Raman Spectroscopy

Kim, Kwang-Wook, Jung, Euo-Chang, Lee, Keun-Young, Cho, Hye-Ryun, Lee, Eil-Hee, Chung, Dong-Yong

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.54 MB

english, 2012

22

Kinetics Study of Reactions of α-Pinene and β-Pinene with Hydroxyl Radical at 1–8 Torr and 240–340 K Using the Relative Rate/Discharge Flow/Mass Spectrometry Method

Montenegro, Anthony, Ishibashi, Jacob S. A., Lam, Phuong, Li, Zhuangjie

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 742 KB

english, 2012

23

Matrix Isolation Infrared and DFT Study of the Trimethyl Phosphite–Hydrogen Chloride Interaction: Hydrogen Bonding versus Nucleophilic Substitution

Ramanathan, N., Kar, Bishnu Prasad, Sundararajan, K., Viswanathan, K. S.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.05 MB

english, 2012

24

Issue Publication Information

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 138 KB

english, 2012

25

Issue Editorial Masthead

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 107 KB

english, 2012