Volume 106; Issue 1

Journal of Physical Chemistry A

Volume 106; Issue 1

1

Photocyclization/Cycloreversion Quantum Yields of Diarylethenes in Single Crystals

Shibata, Katsunori, Muto, Keishi, Kobatake, Seiya, Irie, Masahiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 286 KB

english, 2002

2

Intra- and Intermolecular Photoinduced Energy and Electron Transfer between Oligothienylenevinylenes and N-Methylfulleropyrrolidine

Apperloo, Joke J., Martineau, Corinne, van Hal, Paul A., Roncali, Jean, Janssen, René A. J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 179 KB

english, 2002

3

Following Reaction Pathways Using a Damped Classical Trajectory Algorithm

Hratchian, H. P., Schlegel, H. B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

4

Sonolytic Degradation of Phthalic Acid Esters in Aqueous Solutions. Acceleration of Hydrolysis by Sonochemical Action

Yim, Bongbeen, Nagata, Yoshio, Maeda, Yasuaki

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 60 KB

english, 2002

5

Dynamic Effects on the Powder Line Shapes of Half-Integer Quadrupolar Nuclei: A Solid-State NMR Study of XO 4- Groups

Schurko, Robert W., Wi, Sungsool, Frydman, Lucio

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 217 KB

english, 2002

6

Stopped-Flow and DFT Studies of Proton Transfer and Isomerization of 5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine and Its Related Base 2-(5-Amino-3,4-dicyano-2H-pyrrol-2-ylidene)-1,1,2-tricyanoethanide in Water: A Completely Sorted out Square Scheme

Collange, Edmond, Flamini, Alberto, Poli, Rinaldo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

7

Cooperative Salt Bridge Stabilization of Gas-Phase Zwitterions in Neutral Arginine Clusters

Julian, Ryan R., Beauchamp, J. L., Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 57 KB

english, 2002

8

Density Functional Theory Analysis of Nickel Octaethylporphyrin Ruffling

Stoll, Lindy K., Zgierski, Marek Z., Kozlowski, Pawel M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 137 KB

english, 2002

9

The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies

Liu, Tong, Gu, Jiande, Tan, Xiao-Jian, Zhu, Wei-Liang, Luo, Xiao-Min, Jiang, Hua-Liang, Ji, Ru-Yun, Chen, Kai-Xian, Silman, Israel, Sussman, Joel L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

10

Ab Initio and Kinetic Calculations for the Reactions of H with (CH 3 ) (4- n ) GeH n ( n = 1, 2, 3, 4)

Zhang, Qingzhu, Zhang, Dongju, Wang, Shaokun, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

11

Conformational and Infrared Spectral Studies of l -Methionine and Its N-Deuterated Isotopomer as Isolated Zwitterions

Cao, Xiaolin, Fischer, Gad

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 141 KB

english, 2002

12

Molecular Dynamics Simulation of Methanolic and Ethanolic Silica-Based Sol−Gel Solutions at Ambient Temperature and Pressure

Pereira, J. C. G., Catlow, C. R. A., Price, G. D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 559 KB

english, 2002

13

Hydrolysis, Solvation, and Reduction of SO 3 , S 2 O 6 , ClO 3 (OH), Cl 2 O 7 , and ArO 4 Relating Chemical Properties to the Instability of SO, ClO, and ArO Groups

Johnson, J. R. Tobias, Panas, Itai

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 302 KB

english, 2002

14

Long Distance Photoinduced Electron Transfer in Solutions: A Mechanism for Producing Large Yields of Free Ions by Electron Transfer Quenching

Zhou, Jinwei, Shah, Roshan P., Findley, Bret R., Braun, Charles L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 106 KB

english, 2002

15

Direct Investigation of the Validity of Vertical Approximation in the Calculation of Transition Moment Matrix Elements: n → π* Transition in Methyl Formate

Rocha, Alexandre B., Pimentel, André S., Bielschowsky, Carlos E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 33 KB

english, 2002

16

The Nature of the Intramolecular Charge Transfer Excited State in p -Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups

Zilberg, Shmuel, Haas, Yehuda

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

17

Photoabsorption of Nitrous Oxide through Rydberg States in the Bound and Continuum Spectral Regions: Main Ionization Channels

Bustos, E., Velasco, A. M., Martín, I., Lavín, C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 70 KB

english, 2002

18

Vibrational and Electronic Spectroscopy of the Fluorene Cation

Szczepanski, Jan, Banisaukas, John, Vala, Martin, Hirata, So, Bartlett, Rodney J., Head-Gordon, Martin

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

19

Size-Selected Nanoparticle Chemistry: Kinetics of Soot Oxidation

Higgins, Kelly J., Jung, Heejung, Kittelson, David B., Roberts, Jeffrey T., Zachariah, Michael R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 214 KB

english, 2002

20

Reaction Cross Sections and Rate Constants for the Cl + H 2 Reaction from Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces

Shen, Changsheng, Wu, Tao, Ju, Guanzhi, Bian, Wensheng

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 73 KB

english, 2002

21

Insertion of the Al Atom into Alkyl Ethers: Semiempirical SCF MO and Matrix Isolation ESR Study

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 504 KB

english, 2002

22

Transient Negative Species in Supercritical Carbon Dioxide: Electronic Spectra and Reactions of CO 2 Anion Clusters †

Takahashi, Kenji, Sawamura, Sadashi, Dimitrijevic, Nada M., Bartels, David M., Jonah, Charles D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 77 KB

english, 2002

23

Infrared Spectrum of the Hyponitrite Dianion, N 2 O 22- , Isolated and Insulated from Stabilizing Metal Cations in Solid Neon

Andrews, Lester, Wang, Xuefeng, Zhou, Mingfei, Liang, Binyong

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 53 KB

english, 2002

24

Ab Initio and Kinetic Calculation for the Abstraction Reaction of Atomic O( 3 P) with SiH 4

Zhang, Qingzhu, Wang, Shaokun, Zhou, Jianhua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 76 KB

english, 2002

25

Transformation and Structure of Cation Radicals in l -α-Alanine

Petrenko, T. L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 136 KB

english, 2002

26

Pulsed EPR Characterization of the Low-Spin Iron(III) Porphyrinate Complexes with Phenyl Isocyanide Ligands Having the d x y Orbital Ground State

Astashkin, Andrei V., Raitsimring, Arnold M., Kennedy, Abigail R., Shokhireva, Tatjana Kh., Walker, F. Ann

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 139 KB

english, 2002