Volume 111; Issue 7

Journal of Physical Chemistry A

Volume 111; Issue 7

1

CO 2 Absorption in Aqueous Solutions of Alkanolamines: Mechanistic Insight from Quantum Chemical Calculations

Arstad, Bjørnar, Blom, Richard, Swang, Ole

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 182 KB

english, 2007

2

Theoretical Study of Structure, Vibrational Frequencies, and Electronic Spectra of Dibenzofuran and Its Polychlorinated Derivatives

Ljubić, Ivan, Sabljić, Aleksandar

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 137 KB

english, 2007

3

Experimental Gas-Phase Basicity Scale of Superbasic Phosphazenes

Kaljurand, Ivari, Koppel, Ilmar A., Kütt, Agnes, Rõõm, Eva-Ingrid, Rodima, Toomas, Koppel, Ivar, Mishima, Masaaki, Leito, Ivo

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 125 KB

english, 2007

4

Spectroscopic Characterization of the Isolated SF 6- and C 4 F 8- Anions: Observation of Very Long Harmonic Progressions in Symmetric Deformation Modes upon Photodetachment

Bopp, Joseph C., Roscioli, Joseph R., Johnson, Mark A., Miller, Thomas M., Viggiano, A. A., Villano, Stephanie M., Wren, Scott W., Lineberger, W. Carl

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 203 KB

english, 2007

5

Ab Initio Study of Bonding between Nucleophilic Species and the Nitroso Group

da Silva, Gabriel, Kennedy, Eric M., Dlugogorski, Bogdan Z.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 205 KB

english, 2007

6

Photolysis of Polycyclic Aromatic Hydrocarbons on Water and Ice Surfaces

Kahan, T. F., Donaldson, D. J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 134 KB

english, 2007

7

Electrophilicity-Based Charge Transfer Descriptor

Padmanabhan, J., Parthasarathi, R., Subramanian, V., Chattaraj, P. K.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 68 KB

english, 2007

8

Pulsed Laser Photolysis Vacuum UV Laser-Induced Fluorescence Kinetic Study of the Gas-Phase Reactions of Cl( 2 P 3/2 ) Atoms with C 3 −C 6 Ketones

Takahashi, Kenshi, Iwasaki, Erika, Matsumi, Yutaka, Wallington, Timothy J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 111 KB

english, 2007

9

Highly Efficient Triplet Chain Isomerization of Dewar Benzenes: Adiabatic Rate Constants from Cage Kinetics

Merkel, Paul B., Roh, Yeonsuk, Dinnocenzo, Joseph P., Robello, Douglas R., Farid, Samir

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 194 KB

english, 2007

10

Ab Initio Spin−Orbit Configuration Interaction Calculations for High-Lying States of the HeNe Quasimolecule

Buenker, Robert J., Liebermann, Heinz-Peter, Devdariani, Alexander Z.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 512 KB

english, 2007

11

Solvent Effects on the Resonance Raman and Hyper-Raman Spectra and First Hyperpolarizability of N , N -Dipropyl- p -nitroaniline

Shoute, Lian C. T., Helburn, Robin, Kelley, Anne Myers

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 338 KB

english, 2007

12

Gas-Phase Structure and Conformational Properties of 3,3,6,6-Tetramethyl-1,2,4,5-Tetroxane

Shlykov, Sergey A., Giricheva, Nina I., Eyler, Gladys N., Oberhammer, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 110 KB

english, 2007

13

Application of Schrödinger Equation to Study the Tunnelling Dynamics of Proton Transfer in the Hydrogen Bond of 2,5-Dinitrobenzoic Acid: Proton T 1 , T 1ρ , and Deuteron T 1 Relaxation Methods

Latanowicz, L., Medycki, W.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 106 KB

english, 2007

14

Potential Role of the Nitroacidium Ion on HONO Emissions from the Snowpack

Hellebust, Stig, Roddis, Tristan, Sodeau, John R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 137 KB

english, 2007

15

Intrinsic Anion Oxidation Potentials

Johansson, Patrik

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 51 KB

english, 2007

16

Pattern Formation Induced by Internal Microscopic Fluctuations

Wang, Hongli, Fu, Zhengping, Xu, Xinhang, Ouyang, Qi

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 503 KB

english, 2007

17

Infrared Hole Burning of Crown Ether 18-c-6 Ammonium Ion Complexes

Endicott, Christopher, Strauss, Herbert L.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 198 KB

english, 2007

18

Synthesis and Characterization of ( E )- and ( Z )-3-Mercapto-2-propenenitrile. Microwave Spectrum of the Z -Isomer

Cole, George C., Møllendal, Harald, Khater, Brahim, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 120 KB

english, 2007

19

Frequency- and Time-Resolved Coherence Transfer Spectroscopy

Rickard, Mark A., Pakoulev, Andrei V., Mathew, Nathan A., Kornau, Kathryn M., Wright, John C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 695 KB

english, 2007

20

Quenching and Vibrational Relaxation of SO(B 3 Σ - , v ‘ ≤ 3) by Collisions with Ar and N 2

Hatano, Takayuki, Watanabe, Shinji, Fujii, Hidekazu, Tokue, Ikuo, Yamasaki, Katsuyoshi

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 152 KB

english, 2007

21

Reply to “Comment on ‘Do NAD and NAT Form in Liquid Stratospheric Aerosols by Pseudoheterogeneous Nucleation?'”

Knopf, Daniel A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 15 KB

english, 2007

22

Reactivity between Biphenyl and Precursor of Solvated Electrons in Tetrahydrofuran Measured by Picosecond Pulse Radiolysis in Near-Ultraviolet, Visible, and Infrared

Saeki, Akinori, Kozawa, Takahiro, Ohnishi, Yuko, Tagawa, Seiichi

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 305 KB

english, 2007

23

Comment on “Do NAD and NAT Form in Liquid Stratospheric Aerosols by Pseudoheterogeneous Nucleation?”

Tabazadeh, Azadeh

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 13 KB

english, 2007

24

Quantifying the Photoinduced Release of Nitric Oxide from N,N ‘-Bis(carboxymethyl)- N,N ‘-dinitroso-1,4-phenylenediamine. Effect of Reducing Agents on the Mechanism of the Photoinduced Reactions

Cabail, Maria Zulema, Moua, Valerie, Bae, Elisha, Meyer, Andrew, Pacheco, A. Andrew

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 202 KB

english, 2007

25

Comparison of Static First Hyperpolarizabilities Calculated with Various Quantum Mechanical Methods

Isborn, C. M., Leclercq, A., Vila, F. D., Dalton, L. R., Brédas, J. L., Eichinger, B. E., Robinson, B. H.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 510 KB

english, 2007

26

Anisotropic Reorientation of 9-Methylpurine and 7-Methylpurine Molecules in Methanol Solution Studied by Combining 13 C and 14 N Nuclear Spin Relaxation Data and Quantum Chemical Calculations

Kotsyubynskyy, Dmytro, Gryff-Keller, Adam

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 249 KB

english, 2007

27

Recalibrated Double Many-Body Expansion Potential Energy Surface and Dynamics Calculations for HN 2

Caridade, P. J. S. B., Poveda, L. A., Rodrigues, S. P. J., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 115 KB

english, 2007

28

Kinetics, Products, and Stereochemistry of the Reaction of Chlorine Atoms with c is - and t rans -2-Butene in 10−700 Torr of N 2 or N 2 /O 2 Diluent at 297 K

Kaiser, E. W., Donahue, C. J., Pala, I. R., Wallington, T. J., Hurley, M. D.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 187 KB

english, 2007

29

Vinyl Hydrogen Acidities of Two Stereoisomers

Walthall, David A., Brauman, John I.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 62 KB

english, 2007

30

Theoretical Study of One- and Two-Photon Absorption Properties of Octupolar D 2 d and D 3 Bipyridyl Metal Complexes

Zhang, Xiang-Biao, Feng, Ji-Kang, Ren, Ai-Min

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 413 KB

english, 2007

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