Volume 104; Issue 17

Journal of Physical Chemistry A

Volume 104; Issue 17

1

Reactions of Laser-Ablated Fe, Co, and Ni with NO: Infrared Spectra and Density Functional Calculations of MNO + and M(NO) x (M = Fe, Co, x = 1−3; M = Ni, x = 1, 2), and M(NO) x - (M = Co, Ni; x = 1, 2)

Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 159 KB

english, 2000

2

AM1/d Parameters for Molybdenum

Voityuk, Alexander A., Rösch, Notker

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 53 KB

english, 2000

3

Atmospheric Chemistry of Selected Hydroxycarbonyls

Aschmann, Sara M., Arey, Janet, Atkinson, Roger

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

4

Photochemical Reactions of Oxygen Atoms with Toluene, m -Xylene, p -Xylene, and Mesitylene: An Infrared Matrix Isolation Investigation

Parker, James K., Davis, Steven R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

5

Kinetic and Spectroscopic Properties of Carbene−Diazirine Ylides

Bonneau, Roland, Liu, Michael T. H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 216 KB

english, 2000

6

p -Phenylbisphosphinidene and Its Carbene and Nitrene Analogues: An ab Initio Study

Flock, Michaela, Pierloot, Kristine, Nguyen, Minh Tho, Vanquickenborne, Luc G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 134 KB

english, 2000

7

Diagnostics and Kinetic Modeling of the Ignition and the Extinction Transients of a Hollow Cathode N 2 O Discharge

de los Arcos, T., Domingo, C., Herrero, V. J., Sanz, M. M., Tanarro, I.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

8

Relaxation Processes of Translationally Hot O( 1 D) by Collisions with O 2

Taniguchi, Nori, Hirai, Kouichi, Takahashi, Kenshi, Matsumi, Yutaka

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

9

Carbon−Hydrogen vs Carbon−Carbon Protonation in the Proton Transfer from Alkane Radical Cations to Alkane Molecules. A Study in γ-Irradiated CCl 3 F/Decane at 77 K

Demeyer, Adelheid, Ceulemans, Jan

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 111 KB

english, 2000

10

Oxidation of Aqueous Polyselenide Solutions. A Mechanistic Pulse Radiolysis Study

Goldbach, Andreas, Saboungi, Marie-Louise, Johnson, J. A., Cook, Andrew R., Meisel, Dan

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 73 KB

english, 2000

11

13 C NMR Patterns of Odd-Numbered C 119 Fullerenes

Heine, T., Zerbetto, F., Seifert, G., Fowler, P. W.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 166 KB

english, 2000

12

Temperature Dependent Kinetics of the OH/HO 2 /O 3 Chain Reaction by Time-Resolved IR Laser Absorption Spectroscopy

Nizkorodov, Sergey A., Harper, Warren W., Blackmon, Bradley W., Nesbitt, David J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 146 KB

english, 2000

13

Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon Monoxide: Matrix Infrared Spectra and Density Functional Calculations on M(CO) n ( n = 1−4), M(CO) n - ( n = 1−3), and M(CO) n + ( n = 1−2), (M = Ni, Pd, Pt)

Liang, Binyong, Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 127 KB

english, 2000

14

Electronic Spectrum of the NpO 22+ and NpO 2+ Ions

Matsika, Spiridoula, Pitzer, Russell M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 60 KB

english, 2000

15

Proton Affinity and Protonation Sites of Aniline. Energetic Behavior and Density Functional Reactivity Indices

Russo, Nino, Toscano, Marirosa, Grand, André, Mineva, Tzonka

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 67 KB

english, 2000

16

A Solid-State NMR and Theoretical Study of the 17 O Electric Field Gradient and Chemical Shielding Tensors of the Oxonium Ion in p -Toluenesulfonic Acid Monohydrate

Wu, Gang, Hook, Andrea, Dong, Shuan, Yamada, Kazuhiko

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

17

New Cesium-Selective Hydrophilic Ligands: UV Measures of Their Interactions toward Cs and Cs/Na Separation by Nanofiltration Complexation

Chitry, Frédéric, Pellet-Rostaing, Stéphane, Nicod, Laurence, Gass, Jean-Louis, Foos, Jacques, Guy, Alain, Lemaire, Marc

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 344 KB

english, 2000

18

Pressure Shift Mechanisms of Spectral Holes in the Optical Spectra of Dyes in Polymer Host Matrices 1

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 138 KB

english, 2000

19

Theoretical Studies of the Mechanism for the Synthesis of Silsesquioxanes. 2. Cyclosiloxanes ( D 3 and D 4 )

Kudo, Takako, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 134 KB

english, 2000

20

Ab Initio Study of the X - + RCOY Displacement Reactions with R = H, CH 3 and X, Y = Cl, Br

Kim, Chang Kon, Li, Hong Guang, Lee, Hai Whang, Sohn, Chang Kook, Chun, Young I, Lee, Ikchoon

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 114 KB

english, 2000

21

Vibrational Transition Current Density in ( S )-Methyl Lactate: Visualizing the Origin of the Methine-Stretching Vibrational Circular Dichroism Intensity

Freedman, Teresa B., Lee, Eunah, Nafie, Laurence A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 180 KB

english, 2000

22

Exploration of the Mechanism of the Activation of ClONO 2 by HCl in Small Water Clusters Using Electronic Structure Methods

McNamara, Jonathan P., Tresadern, Gary, Hillier, Ian H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 342 KB

english, 2000

23

Oxygen Production in the Oscillatory Bray−Liebhafsky Reaction

Ševčík, Peter, Kissimonová, Katarína, Adamčíková, L'ubica

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

24

Gas-Phase Acidities of Tetrahedral Oxyacids from ab Initio Electronic Structure Theory

Rustad, James R., Dixon, David A., Kubicki, James D., Felmy, Andrew R.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

25

From 3 He@C 60 to 3 H@C 60 : Hot-Atom Incorporation of Tritium in C 60

Khong, Anthony, Cross, R. James, Saunders, Martin

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 44 KB

english, 2000

26

Bond Dissociation Energies of the Tungsten Fluorides and Their Singly Charged Ions: A Density Functional Survey

Dyall, Kenneth G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 77 KB

english, 2000

27

Effect of Addition Pattern on the Electrochemical and Spectroscopic Properties of Neutral and Reduced 1,2- and 1,4-(C 6 H 5 CH 2 ) 2 C 60 Isomers

Kadish, Karl M., Gao, Xiang, Caemelbecke, Eric Van, Suenobu, Tomoyoshi, Fukuzumi, Shunichi

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 263 KB

english, 2000

28

Hydrolysis of N 2 O 5 on Submicron Sulfuric Acid Aerosols

Hallquist, Mattias, Stewart, David J., Baker, Jacob, Cox, R. Anthony

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

29

Phototautomeric Equilibrium in the Lowest Excited Singlet State of 3-Hydroxyacridone

Wolfbeis, Otto S., Huber, Christian, Schulman, Stephen G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 71 KB

english, 2000

30

Photoinduced Hydrogen Atom Transfer in Salicylic Acid Derivatives Used as Matrix-Assisted Laser Desorption/Ionization (MALDI) Matrices

Lüdemann, Hans-Christian, Hillenkamp, Franz, Redmond, Robert W.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 159 KB

english, 2000

31

Reaction of OH + NO 2 + M: A New View

Golden, David M., Smith, Gregory P.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

32

Binding of Alkaline Earth Halide Ions MX + to Benzene and Mesitylene

Gapeev, Alexei, Dunbar, Robert C.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 53 KB

english, 2000

33

In-Situ Monitoring of Urethane Formation by FTIR and Raman Spectroscopy

Xu, Lifeng, Li, Chi, Ng, K. Y. Simon

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

34

Importance of Charge Transfer and Polarization Effects for the Modeling of Uranyl−Cation Complexes

Hemmingsen, Lars, Amara, Patricia, Ansoborlo, Eric, Field, Martin J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 69 KB

english, 2000

35

Photodissociation of HN 3 at 248 nm and Longer Wavelength: A CASSCF Study

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 76 KB

english, 2000

36

Gas-Phase Coordination of Mg + , ( c -C 5 H 5 )Mg + , and ( c -C 5 H 5 ) 2 Mg + with Saturated Hydrocarbons

Milburn, Rebecca K., Frash, Maxim V., Hopkinson, Alan C., Bohme, Diethard K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 135 KB

english, 2000

37

Anharmonic Effects and Vibrational Dynamics in H-Bonded Liquids by Attenuated Total Reflectance FT-IR Spectroscopy

Crupi, V., Maisano, G., Majolino, D., Migliardo, P., Venuti, V.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 108 KB

english, 2000