Volume 113; Issue 18

Journal of Physical Chemistry A

Volume 113; Issue 18

1

Theoretical Analysis of Gas-Phase Front-Side Attack Identity SN2(C) and SN2(Si) Reactions with Retention of Configuration

Yang, Zhong-Zhi, Ding, Yan-Li, Zhao, Dong-Xia

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.08 MB

english, 2009

2

Jet-Cooled 2-Aminopyridine Dimer: Conformers and Infrared Vibrational Spectra

Ottiger, Philipp, Frey, Jann A., Frey, Hans-Martin, Leutwyler, Samuel

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.71 MB

english, 2009

3

Comparative Studies on Electronic Spectra and Redox Behaviors of Isomeric Benzo[1,2- b :4,5- b ′]difurans and Benzo[1,2- b :5,4- b ′]difurans

Hayashi, Naoto, Saito, Yoko, Higuchi, Hiroyuki, Suzuki, Kengo

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 8.29 MB

english, 2009

4

Ground State Structures of Fe 2 O 4−6+ Clusters Probed by Reactions with N 2

Xue, Wei, Yin, Shi, Ding, Xun-Lei, He, Sheng-Gui, Ge, Mao-Fa

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.91 MB

english, 2009

5

Multisite Structure of PbWO 4 :Eu 3+ Crystals Investigated by Site-Selective Laser-Excitation Spectroscopy

Huang, Yanlin, Seo, Hyo Jin

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.83 MB

english, 2009

6

Kinetic Study of the C 10 H 7 + O 2 Reaction

Park, J., Xu, Z. F., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 330 KB

english, 2009

7

Cage Effect in Supercritical Fluids and Compressed Gases in the Photolysis of an Asymmetrically Substituted Diazene

Hoijemberg, Pablo A., Zerbs, Jochen, Japas, M. Laura, Chesta, Carlos A., Schroeder, Jörg, Aramendía, Pedro F.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 392 KB

english, 2009

8

Spectroscopic Characterization of a Copper(III) Trisuperoxide Complex Bearing Both Side-On and End-On Ligands

Gong, Yu, Wang, Guanjun, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 500 KB

english, 2009

9

Excited-State Geometry Method for Calculation of the Absolute Resonance Raman Cross Sections of the Aromatic Amino Acids

Gaff, John F., Franzen, Stefan

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 503 KB

english, 2009

10

Conformational Sensitivity of Chiroptical Spectroscopic Methods: 6,6′-Dibromo-1,1′-bi-2-naphthol

Polavarapu, Prasad L., Jeirath, Neha, Walia, Sheena

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.08 MB

english, 2009

11

Density Functional Theory Based Study of Magnetic Interaction in Bis-Oxoverdazyl Diradicals Connected by Different Aromatic Couplers

Bhattacharya, Debojit, Misra, Anirban

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 2.05 MB

english, 2009

12

Modeling the Complex Bromate−Iodine Reaction

Machado, Priscilla B., Faria, Roberto B.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 210 KB

english, 2009

13

Binding in Thiophene and Benzothiophene Dimers Investigated By Density Functional Theory with Dispersion-Correcting Potentials

Mackie, Iain D., McClure, Sean A., DiLabio, Gino A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

14

The Gas-Phase Decomposition of CF 3 OH with Water: A Radical-Catalyzed Mechanism

Buszek, Robert J., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 2.50 MB

english, 2009

15

Theoretical Study on Exciton Recurrence Motion in Anthracene Dimer Using the Ab Initio MO-CI Based Quantum Master Equation Approach

Kishi, Ryohei, Nakano, Masayoshi, Minami, Takuya, Fukui, Hitoshi, Nagai, Hiroshi, Yoneda, Kyohei, Takahashi, Hideaki

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 5.40 MB

english, 2009

16

Ab Initio Study of Structural, Electronic, and Magnetic Properties of V n (C 60 ) m Complexes

Zhang, Xiuyun, Wang, Jinlan, Zeng, Xiao Cheng

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 6.30 MB

english, 2009

17

Fractal Growth Kinetics and Electric Potential Oscillations during Electropolymerization of Pyrrole

Das, Ishwar, Agrawal, Namita R., Gupta, Sanjeev Kumar, Gupta, Sujeet Kumar, Rastogi, R. P.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.26 MB

english, 2009

18

An Experimental and Theoretical Study of Pyrrole Pyrolysis with Tunable Synchrotron VUV Photoionization and Molecular-Beam Mass Spectrometry

Hong, Xin, Zhang, Lidong, Zhang, Taichang, Qi, Fei

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.74 MB

english, 2009

19

Evidence of Formation of Bicyclic Species in the Early Stages of Atmospheric Benzene Oxidation

Glowacki, David R., Wang, Liming, Pilling, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 705 KB

english, 2009

20

Spectroscopic and Kinetic Studies of Photochemical Reaction of Magnesium Tetraphenylporphyrin with Oxygen

Zhang, Jianbin, Zhang, Pengyan, Zhang, Zhengfu, Wei, Xionghui

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.43 MB

english, 2009

21

Charge Distribution in Arylhydrazine-Centered Mixed Valence Compounds with Smaller Bridges (Five to Nine Bonds between Closest Nitrogens)

Nelsen, Stephen F., Schultz, Kevin P.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 356 KB

english, 2009

22

Infrared Spectra and Density Functional Theory Calculations of Group 8 Transition Metal Sulfide Molecules

Liang, Binyong, Wang, Xuefeng, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 872 KB

english, 2009

23

Molecular Simulation of the Potential of Methane Reoccupation during the Replacement of Methane Hydrate by CO 2

Geng, Chun-Yu, Wen, Hao, Zhou, Han

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 6.51 MB

english, 2009

24

Comparative Theoretical and Experimental Study of the Radiation-Induced Decomposition of Glycine

Wilks, R. G., MacNaughton, J. B., Kraatz, H.-B., Regier, T., Blyth, R. I. R., Moewes, A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 420 KB

english, 2009

25

Spatial pH Jump Measures Chemical Kinetics in a Steady-State System

Nag, Suman, Bandyopadhyay, Arkarup, Maiti, S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 125 KB

english, 2009

26

Structural and Energetic Preferences of π, σ, and Bidentate Cation Binding (Li + , Na + , and Mg 2+ ) to Aromatic Amines (Ph−(CH 2 ) n −NH 2 , n = 2−5): A Theoretical Study

Rao, J. Srinivasa, Sastry, G. Narahari

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 5.23 MB

english, 2009

27

Excited-State Double Proton Transfer in 1 H -Pyrazolo[3,4- b ]quinoline Dimers

Klerk, Joost S. de, Bader, Arjen N., Zapotoczny, Szczepan, Sterzel, Monika, Pilch, Mariusz, Danel, Andrzej, Gooijer, Cees, Ariese, Freek

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 870 KB

english, 2009

28

Determination of the Hydrate Structure of an Isolated Alcoholic OH in Hydrophobic Medium by Infrared and Near-Infrared Spectroscopy

Iwamoto, Reikichi, Kusanagi, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 541 KB

english, 2009