Volume 106; Issue 19

Journal of Physical Chemistry A

Volume 106; Issue 19

1

Novel Approach to the Detection of Triacetone Triperoxide (TATP): Its Structure and Its Complexes with Ions

Dubnikova, F., Kosloff, R., Zeiri, Y., Karpas, Z.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

2

Intense Blue Luminescence of 3,4,6-Triphenyl-α-pyrone in the Solid State and Its Electronic Characterization

Hirano, Keisuke, Minakata, Satoshi, Komatsu, Mitsuo, Mizuguchi, Jin

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

3

Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes

Ruiz, Eliseo, de Graaf, Coen, Alemany, Pere, Alvarez, Santiago

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

4

EPR Line Shifts and Line Shape Changes Due to Spin Exchange of Nitroxide Free Radicals in Liquids 2. Extension to High Spin Exchange Frequencies and Inhomogeneously Broadened Spectra

Bales, Barney L., Peric, Miroslav

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 197 KB

english, 2002

5

Ultrafast Charge Recombination of Photogenerated Ion Pairs to an Electronic Excited State

Morandeira, Ana, Engeli, Laurine, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 61 KB

english, 2002

6

Role of Hydrogen-Bonded Intermediates in the Bimolecular Reactions of the Hydroxyl Radical

Smith, Ian W. M., Ravishankara, A. R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 97 KB

english, 2002

7

Reply to Comment on “Identity Hydrogen Abstraction Reactions, X • + H−X‘ → X−H + X‘ • (X = X‘ = CH 3 , SiH 3 , GeH 3 , SnH 3 , PbH 3 ): A Valence Bond Modeling”

Shaik, Sason, de Visser, Samuël P., Wu, Wei, Song, Lingchun, Hiberty, Philippe C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 34 KB

english, 2002

8

Quantum Scattering Calculations of the O( 1 D) + N 2 (X 1 Σ g+ ) → O( 3 P) + N 2 (X 1 Σ g+ ) Spin-Forbidden Electronic Quenching Collision

Takayanagi, Toshiyuki

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 163 KB

english, 2002

9

Solution of Some One- and Two-Dimensional Master Equation Models for Thermal Dissociation: The Dissociation of Methane in the Low-Pressure Limit

Miller, James A., Klippenstein, Stephen J., Raffy, Christophe

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 140 KB

english, 2002

10

Photoelectron Spectroscopy of Cobalt Oxide Cluster Anions

Pramann, Axel, Koyasu, Kiichirou, Nakajima, Atsushi, Kaya, Koji

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 197 KB

english, 2002

11

Interpolated Algorithm for Large-Curvature Tunneling Calculations of Transmission Coefficients for Variational Transition State Theory Calculations of Reaction Rates

Fernández-Ramos, Antonio, Truhlar, Donald G., Corchado, José C., Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 51 KB

english, 2002

12

Ferromagnetic Bonding: Properties of High-Spin Lithium Clusters n +1 Li n ( n = 2−12) Devoid of Electron Pairs

de Visser, Sam P., Danovich, David, Wu, Wei, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 201 KB

english, 2002

13

C NMR Coupling Constant of the Stable Silene ( t -BuMe 2 Si)(Me 3 Si)Si2-Ad. Manifestations of the SiC Double Bond

Bendikov, Michael, Apeloig, Yitzhak, Bukalov, Sergey, Garbuzova, Irina, Leites, Larissa

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 71 KB

english, 2002

14

The Gas-Phase Acidities of Substituted Hydroxamic and Silahydroxamic Acids: A Comparative ab Initio Study

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 102 KB

english, 2002

15

Experiments on Flow-Distributed Oscillations in the Belousov−Zhabotinsky Reaction

Menzinger, Michael

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 295 KB

english, 2002

16

Aerosol Spectroscopy of Dihydroxyacetone: Gas Phase and Nanoparticles

Signorell, Ruth, Luckhaus, David

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 189 KB

english, 2002

17

Comment on Molecular Mechanics for Chemical Reactions

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 17 KB

english, 2002

18

Permanent Chiral Twisting of Nonchiral Carbon Nanotubes

Melle-Franco, Manuel, Prato, Maurizio, Zerbetto, Francesco

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

19

Asymmetry in Symmetric Cycloadditions

Yamabe, Shinichi, Nishihara, Yukari, Minato, Tsutomu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 232 KB

english, 2002

20

Bystander Effects on Carbene Rearrangements: A Computational Study

Hill, Brian T., Zhu, Zhendong, Boeder, Aaron, Hadad, Christopher M., Platz, Matthew S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

21

The Trimer Structures of Hydrazine

Dyczmons, Volker

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 407 KB

english, 2002

22

Reply to Comment on Molecular Mechanics for Chemical Reactions

Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 23 KB

english, 2002

23

Spin-Polarized Nitroxide Radicals in Organic Glasses †

Tarasov, Valery F., Shkrob, Ilya A., Trifunac, Alexander D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

24

Symmetry-Forbidden vs Symmetry-Allowed Electron and Hole Transfer in Medium Sized Intramolecular Organic Donor−Acceptor Radical Ions. A Trajectory Surface Hopping Study

Jones, Garth A., Paddon-Row, Michael N., Carpenter, Barry K., Piotrowiak, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

25

Reactions of Silylene with Unreactive Molecules. I: Carbon Dioxide; Gas-Phase Kinetic and Theoretical Studies

Becerra, Rosa, Cannady, J. Pat, Walsh, Robin

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 76 KB

english, 2002

26

Infrared Characterization of the Icosahedral Shell Closing in Cl - ·H 2 O·Ar n (1 ≤ n ≤ 13) Clusters

Corcelli, S. A., Kelley, J. A., Tully, J. C., Johnson, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 154 KB

english, 2002

27

Parameters Influencing the On- and Off-Times in the Fluorescence Intensity Traces of Single Cyanine Dye Molecules

Köhn, Fabian, Hofkens, Johan, Gronheid, Roel, Van der Auweraer, Mark, De Schryver, Frans C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

28

Infrared Matrix Isolation and Density Functional Theory Study of Intermediates in the Reactions of OVCl 3 and CrCl 2 O 2 with H 2 O

Subel, Bethany L., Kayser, David A., Ault, Bruce S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

29

Calculation of Electronic g -Tensors Using a Relativistic Density Functional Douglas−Kroll Method

Neyman, Konstantin M., Ganyushin, Dmitri I., Matveev, Alexei V., Nasluzov, Vladimir A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

30

A Computational and Experimental Study on the Relative Stabilities of Cis and Trans Isomers of N- Alkylamides in Gas Phase and in Solution

Martínez, Antonio García, Vilar, Enrique Teso, Fraile, Amelia García, Martínez-Ruiz, Paloma

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

31

A Crossed Beam and ab Initio Investigation of the Reaction of Hydrogen Sulfide, H 2 S(X 1 A 1 ), with Dicarbon Molecules, C 2 (X 1 Σ g+ )

Kaiser, R. I., Yamada, M., Osamura, Y.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 131 KB

english, 2002

32

Comment on “Identity Hydrogen Abstraction Reactions, X • + H−X‘ → X−H + X‘ • (X = X‘ = CH 3 , SiH 3 , GeH 3 , SnH 3 , PbH 3 ): A Valence Bond Modeling”

Zavitsas, Andreas A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 20 KB

english, 2002

33

LIF and IR Dip Spectra of Jet-Cooled p -Aminophenol−M (M = CO, N 2 ): Hydrogen-Bonded or Van der Waals-Bonded Structure?

Mori, Hirotoshi, Kugisaki, Hitomi, Inokuchi, Yoshiya, Nishi, Nobuyuki, Miyoshi, Eisaku, Sakota, Kenji, Ohashi, Kazuhiko, Sekiya, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

34

Quantum Mechanics Studies of the Intrinsic Conformation of Trehalose

French, Alfred D., Johnson, Glenn P., Kelterer, Anne-Marie, Dowd, Michael K., Cramer, Christopher J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 243 KB

english, 2002

35

Effects of a Paracyclophane Linker on the Charge-Transfer Transition of 4-(Dimethylamino)-4‘-nitrostilbene

Moran, Andrew M., Bartholomew, Glenn P., Bazan, Guillermo C., Kelley, Anne Myers

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 252 KB

english, 2002

36

Direct Determination of the S 1 Excited-State Energies of Xanthophylls by Low-Temperature Fluorescence Spectroscopy †

Josue, Jesusa S., Frank, Harry A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002