Volume 104; Issue 47

Journal of Physical Chemistry A

Volume 104; Issue 47

1

Solvation Effects and Inhomogeneous Broadening in Optical Spectra of Phenol Blue

Terenziani, Francesca, Painelli, Anna, Comoretto, Davide

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 69 KB

english, 2000

2

Syntheses of NCN and NC 3 N from Ionic Precursors in the Gas Phase and an Unusual Rearrangement of Neutral NC 3 N: A Joint Experimental and Theoretical Study

Blanksby, Stephen J., Dua, Suresh, Bowie, John H., Schröder, Detlef, Schwarz, Helmut

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

3

Optical Spectra of Push−Pull Chromophores in Solution: A Simple Model

Painelli, Anna, Terenziani, Francesca

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 88 KB

english, 2000

4

Shock Wave Initiation of Pentaerythritol Tetranitrate Single Crystals: Mechanism of Anisotropic Sensitivity

Gruzdkov, Yuri A., Gupta, Yogendra M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 189 KB

english, 2000

5

Reversible Oxidation Effect in Raman Scattering from Metallic Single-Wall Carbon Nanotubes

Yu, Zhonghua, Brus, Louis E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 81 KB

english, 2000

6

Ab Initio Computational Study of Environmentally Harmful Gasoline Additives: Methyl tert -Butyl Ether and Analogues

Gregerson, Laura N., Siegel, Jay S., Baldridge, Kim K.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 83 KB

english, 2000

7

Aqueous Solutions of Europium(III) Dipicolinate Complexes: Estimates of Water Coordination Based on Molecular Dynamics Simulations and Excited State Decay Rate Constants

An, Yizhe, Berry, Mary T., van Veggel, Frank C. J. M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 61 KB

english, 2000

8

Structural Properties of Ammonium Perchlorate Compressed to 5.6 GPa

Peiris, Suhithi M., Pangilinan, G. I., Russell, T. P.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 114 KB

english, 2000

9

A Theoretical Study of the P + + SH 2 Reaction: Potential Energy Surfaces and Reaction Dynamics

Flores, Jesús R., Estévez, Carlos M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

10

Diffusive Relaxations and Vibrational Properties of Water and H-bonded Systems in Confined State by Neutrons and Light Scattering: State of the Art

Crupi, Vincenza, Majolino, Domenico, Migliardo, Placido, Venuti, Valentina

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 175 KB

english, 2000

11

Laboratory Studies of OBrO

Knight, Gary, Ravishankara, A. R., Burkholder, James B.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 68 KB

english, 2000

12

Does Molecular Size Matter in Photoinduced Electron Transfer Reactions?

Serpa, Carlos, Arnaut, Luis G.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 178 KB

english, 2000

13

Are the Hydrophobic AsPh 4+ and BPh 4- Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge Distributions

Schurhammer, Rachel, Wipff, Georges

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 236 KB

english, 2000

14

Stabilities, Excitation Energies, and Dissociation Reactions of CF 2 Cl 2 and CF 2 Br 2 : Quantum Chemical Computations of Heats of Formation of Fluorinated Methanes, Methyls, and Carbenes

Cameron, Melanie R., Bacskay, George B.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 83 KB

english, 2000

15

Photogenerated Nitrenium Ions: A Search for Triplet-State Reactivity in the Chemistry of the Diphenylnitrenium Ion

McIlroy, Sean, Moran, Ricardo J., Falvey, Daniel E.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 79 KB

english, 2000

16

Kinetic, Mechanistic, and Modeling Study of the OH-Radical-Initiated Oxidation of Di- n -butoxymethane (DNBM)

Maurer, T., Geiger, H., Barnes, I., Becker, K. H., Thüner, L. P.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

17

Two-Photon Absorption and Second Hyperpolarizability of the Linear Quadrupolar Molecule

Lee, Won-Ho, Cho, Minhaeng, Jeon, Seung-Joon, Cho, Bong Rae

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 97 KB

english, 2000

18

A Theoretical Study of the Reaction between N + ( 3 P) and Formaldehyde and Related Processes in the Gas Phase

Ijjaali, Fatima, Alcamí, Manuel, Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 125 KB

english, 2000

19

Vibrational Spectra and Structures of Long-Chain Streptocyanine Dyes: Effects of Electron−Vibration Interactions and Vibrational Polarizabilities

Furuya, Kazuhiko, Torii, Hajime, Furukawa, Yukio, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000

20

Infrared Chemiluminescence Studies of the H + (CH 3 ) 3 COCl and H + RC(O)SCl (R = Cl, F, OCH 3 ) Reactions: Observation of OCS Infrared Chemiluminescence

Manke, G. C., Setser, D. W.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 168 KB

english, 2000

21

Water-Mediated Base Pairs in RNA: A Quantum-Chemical Study

Brandl, M., Meyer, M., Sühnel, J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 119 KB

english, 2000

22

Wavelength-Dependent Photolysis of Methylglyoxal in the 290−440 nm Region

Chen, Yunqing, Wang, Wenjing, Zhu, Lei

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 73 KB

english, 2000

23

High-Pressure Raman Spectra of p -Diiodobenzene

Farina, L., Palazzi, L., Venuti, E., Della Valle, R. G., Brillante, A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 70 KB

english, 2000

24

Destruction of Freons by the Use of High-Voltage Glow Plasmas

Spiess, Franz-Josef, Chen, Xiao, Brock, Stephanie L., Suib, Steven L., Hayashi, Yuji, Matsumoto, Hiroshige

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 150 KB

english, 2000

25

Theoretical Study of the Formation of Acetone in the OH-Initiated Atmospheric Oxidation of α-Pinene

Vereecken, L., Peeters, J.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

26

A Breathing Sphere Model for Calculating Frequency Shifts of Polyatomic Molecules in Solution

Devendorf, George S.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 107 KB

english, 2000

27

Fluorescence of all-trans -Retinal as a Crystal and in a Dense Solution Phase

Moroni, Laura, Gellini, Cristina, Salvi, Pier Remigio, Schettino, Vincenzo

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 170 KB

english, 2000

28

Kinetic Study of the Reactions of Gas-Phase V(a 4 F 3/2 ), Cr(a 7 S 3 ), Co(a 4 F 9/2 ), Ni(a 3 F 4 , a 3 D 3 ) and Zn(4s 21 S 0 ) Atoms with Nitrous Oxide

Campbell, Mark L., Kölsch, Erica J., Hooper, Kelli L.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 91 KB

english, 2000

29

Growth and Photodissociation of Cr x −(Coronene) y Complexes

Foster, N. R., Grieves, G. A., Buchanan, J. W., Flynn, N. D., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 204 KB

english, 2000

30

“No-Pair Bonding” in High-Spin Lithium Clusters: n +1 Li n ( n = 2−6)

de Visser, Sam P., Alpert, Yuval, Danovich, David, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 216 KB

english, 2000

31

Conformational Distribution of Gas-phase Glycerol

Chelli, Riccardo, Gervasio, Francesco L., Gellini, Cristina, Procacci, Piero, Cardini, Gianni, Schettino, Vincenzo

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 63 KB

english, 2000

32

Electron Affinities of Silicon Hydrides: SiH n ( n = 0−4) and Si 2 H n ( n = 0−6)

Pak, Chaeho, Rienstra-Kiracofe, Jonathan C., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 185 KB

english, 2000

33

A Combined Experimental and Theoretical 17 O NMR Study of Crystalline Urea: An Example of Large Hydrogen-bonding Effects

Dong, Shuan, Ida, Ramsey, Wu, Gang

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 112 KB

english, 2000

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