Volume 112; Issue 24

Journal of Physical Chemistry A

Volume 112; Issue 24

1

Two-Way Effects between Hydrogen Bond and Intramolecular Resonance Effect: An Ab Initio Study on Complexes of Formamide and Its Derivatives with Water

Liu, Tao, Li, Hua, Huang, Ming-Bao, Duan, Yong, Wang, Zhi-Xiang

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 694 KB

english, 2008

2

Three-Dimensional Local Structure of Photoexcited Cu Diimine Complex Refined by Quantitative XANES Analysis

Smolentsev, Grigory, Soldatov, Alexander V., Chen, Lin X.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 619 KB

english, 2008

3

Experimental and Computational Study of HXeY···HX Complexes (X, Y = Cl and Br): An Example of Exceptionally Large Complexation Effect

Lignell, Antti, Lundell, Jan, Khriachtchev, Leonid, Räsänen, Markku

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 285 KB

english, 2008

4

Quantum States of the Endohedral Fullerene Li@C 60

Zhang, Ming, Harding, Lawrence B., Gray, Stephen K., Rice, Stuart A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.23 MB

english, 2008

5

Transition State for the Gas-Phase Reaction of Uranium Hexafluoride with Water

Garrison, Stephen L., Becnel, James M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 287 KB

english, 2008

6

Application of High-Level Iterative Coupled-Cluster Methods to the Cytosine Molecule

Kowalski, Karol, Valiev, M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 62 KB

english, 2008

7

Diffusion and Kinetics of Solvent-Free Reaction between Molecular Crystals by Time-Resolved Powder UV−Vis Reflection Spectrum

Tang, Xin-Cun, Jia, Dian-Zeng, Jiang, Chen-Kui, Jiang, Li-Hui, Guo, Zai-Ping

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.26 MB

english, 2008

8

Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Contemporary Theoretical Procedures

Menon, Ambili S., Wood, Geoffrey P. F., Moran, Damian, Radom*, Leo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 27 KB

english, 2008

9

Molecular Dynamics Study on Ion Diffusion in LiFePO 4 Olivine Materials

Zhang, Peixin, Wu, Yanpeng, Zhang, Dongyun, Xu, Qiming, Liu, Jianhong, Ren, Xiangzhong, Luo, Zhongkuan, Wang, Mingliang, Hong, Weiliang

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 704 KB

english, 2008

10

A Mechanistic Study on the Photoisomerizations of Spiro[2,4]hept-1-ene, Vinylidenecyclopentane, and Vinylidenecyclobutane Hydrocarbons

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 347 KB

english, 2008

11

Effect of Diffusion on the Photoinduced Reaction between a Tetra-Anionic Porphyrin and Methylviologen Cation in Methanol

Pant, Sanjay, Ohtaka-Saiki, Hiroyasu, Takezaki, Makoto, Scully, Andrew D., Hirayama, Satoshi, Tominaga, Toshihiro

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 136 KB

english, 2008

12

Optical Rectification at Isotropic Chiral Film Composed of Tripod-Like Molecules

Wang, Xiao-Ou, Gong, Li-Jing, Li, Chun-Fei

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 160 KB

english, 2008

13

Photodissociation Dynamics of HN 3 and DN 3 at 157 nm

Yuan, Kaijun, Cheng, Yuan, Wang, Fengyan, Yang, Xueming

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 327 KB

english, 2008

14

Photodissociation of Yttrium and Lanthanum Oxide Cluster Cations

Reed, Z. D., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 370 KB

english, 2008

15

Finite Element Method for Finite-Size Scaling in Quantum Mechanics

Moy, Winton, Carignano, Marcelo A., Kais, Sabre

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 527 KB

english, 2008

16

Quantum Dynamics of Br + HD Reaction

Panda, Aditya N.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 114 KB

english, 2008

17

Probing the Photoexcited States of Rhodium Corroles by Time-Resolved Q-Band EPR. Observation of Strong Spin−Orbit Coupling Effects

Rozenshtein, V., Wagnert, L., Berg, A., Stavitski, E., Berthold, T., Kothe, G., Saltsman, I., Gross, Z., Levanon, H.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 126 KB

english, 2008

18

Investigation of Charge Carriers in Doped Thiophene Oligomers through Theoretical Modeling of their UV/Vis Spectra

Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.45 MB

english, 2008

19

Internal Vibrations of the Li(NH 3 ) 4+ Complex Analyzed from Ab Initio, Density Functional Theory, And the Classical Spring Network Model

Pinsook, Udomsilp, Scheicher, Ralph H., Ahuja, Rajeev, Hannongbua, Supot

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 298 KB

english, 2008

20

Emergence of Charge-Transfer-to-Solvent Band in the Absorption Spectra of Hydrogen Halides on Ice Nanoparticles: Spectroscopic Evidence for Acidic Dissociation

Ončák, Milan, Slavíček, Petr, Poterya, Viktoriya, Fárník, Michal, Buck, Udo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 993 KB

english, 2008

21

Photoexcitation and Photoionization Dynamics of Water Photolysis

Kumar, Anupriya, Kołaski, Maciej, Lee, Han Myoung, Kim, Kwang S.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 571 KB

english, 2008

22

Modeling the Kinetics of Fe(II) Oxidation in the Presence of Citrate and Salicylate in Aqueous Solutions at pH 6.0−8.0 and 25 °C

Pham, A. Ninh, Waite, T. David

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 202 KB

english, 2008

23

Quantum Chemical Characterization of the Structures, Thermochemical Properties, and Doublet−Quartet Splittings of Tridehydropyridinium Cations

Nash, John J., Kenttämaa, Hilkka I., Cramer, Christopher J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 193 KB

english, 2008

24

Effect of Coadsorbed Dopants on Diamond Initial Growth Processes: CH 3 Adsorption

Regemorter, T. Van, Larsson, K.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 659 KB

english, 2008

25

Ab Initio Study on Mechanisms and Kinetics for Reaction of NCS with NO

Chen, Hui-Lung, Zhu, Rongshun, Chen, Hsin-Tsung, Li, Han-Jung, Ju, Shin-Pon

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 754 KB

english, 2008

26

Gas-Phase Nitrosation of Ethylene and Related Events in the C 2 H 4 NO + Landscape

Gerbaux, Pascal, Dechamps, Noemie, Flammang, Robert, Nam, Pham Cam, Nguyen, Minh Tho, Djazi, Fayçal, Berruyer, Florence, Bouchoux, Guy

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.79 MB

english, 2008

27

Ground- and Excited-State Properties of the Mixed-Valence Complex [(NH 3 ) 5 Ru III NCRu II (CN) 5 ] −

Kondov, Ivan, Vallet, Valérie, Wang, Haobin, Thoss, Michael

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 959 KB

english, 2008

28

Addition of the Carbonyl Oxygen to the ipso - or ortho -Carbon Atoms of the β-Phenyl Ring Followed by Intersystem Crossing and Rapid Relaxation to the Ground-State Ketones: A Mechanism for β-Phenyl Quenching of the First Triplet Excited States of Derivatives of β-Phenylpropiophenone

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 521 KB

english, 2008

29

Matrix Isolation Studies of Photochemical and Thermal Reactions of 3- and 5-Membered Cyclic Hydrocarbons with CrCl 2 O 2

Hoops, Michael D., Ault, Bruce S.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.01 MB

english, 2008

30

Solvent Effects on the Local Structure of p -Nitroaniline in Supercritical Water and Supercritical Alcohols

Fujisawa, Tomotsumi, Terazima, Masahide, Kimura, Yoshifumi

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 419 KB

english, 2008

31

New Insight on the Structural Trends of Polyphosphate Coacervation Processes

Silva, Maurício A. P., Franco, Douglas F., C. de Oliveira, Luiz Fernando

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 610 KB

english, 2008