Volume 107; Issue 34

Journal of Physical Chemistry A

Volume 107; Issue 34

1

First Identification of an Aliphatic cis-α,β-Dinitroso Compound: A Combined Experimental and Quantum Chemical Study

Himmel, Hans-Jörg, Konrad, Serge, Friedrichsen, Willy, Rauhut, Guntram

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

2

UV Photolysis of 1,4-Diaminobenzene in a Low-Temperature Argon Matrix to 2,5-Cyclohexadiene-1,4-diimine via 4-Aminoanilino Radical

Akai, Nobuyuki, Kudoh, Satoshi, Nakata, Munetaka

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 90 KB

english, 2003

3

A Comparative Investigation of Structure and Bonding in Mo and W [TeM 6 O 24 ] 6- and [PM 12 O 40 ] 3- Heteropolyanions

Bridgeman, Adam J., Cavigliasso, Germán

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 933 KB

english, 2003

4

Combining Microsolvation and Polarizable Continuum Studies: New Insights in the Rotation Mechanism of Amides in Water

da Silva, Clarissa O., Mennucci, Benedetta, Vreven, Thom

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 150 KB

english, 2003

5

Cooperativity in Amide Hydrogen Bonding Chains. A Comparison between Vibrational Coupling through Hydrogen Bonds and Covalent Bonds. Implications for Peptide Vibrational Spectra

Kobko, Nadya, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 275 KB

english, 2003

6

New Boron Nitride B 24 N 24 Nanotube

Wu, Hai-Shun, Xu, Xiao-Hong, Zhang, Fu-Qiang, Jiao, Haijun

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

7

Effects of Basis Set Choice upon the Atomization Energy of the Second-Row Compounds SO 2 , CCl, and ClO 2 for B3LYP and B3PW91

Wang, Nick X., Wilson, Angela K.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 49 KB

english, 2003

8

Gauche/Trans Equilibria of 2,2‘-Bi-1,3-dioxanyl, 2,2‘-Dimethyl-2,2‘-bi-1,3-dioxanyl, 2,2‘-Bi-1,3-dithianyl, and 2,2‘-Dimethyl-2,2‘-bi-1,3-dithianyl in Different Media. Theory and Experiment

Chen, Wang, Lam, Yulin, Wong, Ming Wah, Huang, Hsing Hua, Liang, Eping

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

9

Group Additivity vs Ab Initio

Fishtik, Ilie, Datta, Ravindra

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 148 KB

english, 2003

10

Vibronic Spectrum of the Jet-Cooled 2,6-Dimethylbenzyl Radical in a Corona Excitation

Lee, Sang Kuk, Ahn, Byoung Uk, Lee, Sang Kyu

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 37 KB

english, 2003

11

Kinetics of the Unimolecular Decomposition of the C 2 Cl 3 Radical

Bryukov, Mikhail G., Kostina, Sofya A., Knyazev, Vadim D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 97 KB

english, 2003

12

Diffraction Signals of Aligned Molecules in the Gas Phase: Tetrazine in Intense Laser Fields

Ryu, Seol, Stratt, Richard M., Weber, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 290 KB

english, 2003

13

Publications of Michael Kasha

Journal:

Journal of Physical Chemistry A

Year:

2003

File:

PDF, 4 KB

2003

14

Biomolecular Homochirality and Electroweak Interactions. I. The Yamagata Hypothesis

Wesendrup, Ralf, Laerdahl, Jon K., Compton, Robert N., Schwerdtfeger, Peter

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 132 KB

english, 2003

15

Gaussian Basis Sets for Highly Accurate Calculations of Isotropic Hyperfine Coupling Constants at Hydrogen

Fau, Stefan, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 87 KB

english, 2003

16

Solvated Electron Pairing with Earth Alkaline Metals in THF 2Reactivity of the (Mg II , e s- ) Pair with Aromatic and Halogenated Hydrocarbon Compounds

Renou, F., Pernot, P., Bonin, J., Lampre, I., Mostafavi, M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

17

Theoretical Study of the Insertion Reactions of Zr + into HF, HCl, H 2 O, H 2 S, NH 3 , PH 3 , CH 4 , and SiH 4

Wang,, Xu, Xin, Cao,, Ye, Song, Zhang, Qianer

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 157 KB

english, 2003

18

Benchmark Study of Isotropic Hyperfine Coupling Constants for Hydrogen: Influence of Geometry, Correlation Method, and Basis Set

Al Derzi, Afaf R., Fau, Stefan, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

19

Energy Releasing and Conformational Dynamics of Stilbene Dendrimers upon Photoisomerization

Tatewaki, Hiroshi, Mizutani, Takuo, Hayakawa, Junpei, Arai, Tatsuo, Terazima, Masahide

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 284 KB

english, 2003

20

Metal Insertion Route of the Ni + CO 2 → NiO + CO Reaction

Hannachi, Yacine, Mascetti, Joëlle, Stirling, András, Pápai, Imre

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 90 KB

english, 2003

21

Single-Molecule Spectroscopy of Intramolecular Electron Transfer in Donor-Bridge-Acceptor Systems

Liu, Ruchuan, Holman, Michael W., Zang, Ling, Adams, David M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 184 KB

english, 2003

22

Infrared Spectra and Quantum-Chemical Studies of Disilylmethanes

McKean, Donald C.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 141 KB

english, 2003

23

Ionization and Fragmentation of Some Chlorinated Compounds and Dibenzo- p -dioxin with an Intense Femtosecond Laser Pulse at 800 nm

Harada, Hideo, Tanaka, Michinori, Murakami, Masanao, Shimizu, Seiji, Yatsuhashi, Tomoyuki, Nakashima, Nobuaki, Sakabe, Shuji, Izawa, Yasukazu, Tojo, Sachiko, Majima, Tetsuro

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 254 KB

english, 2003

24

Kinetics of Reactions of Cl Atoms with Ethane, Chloroethane, and 1,1-Dichloroethane

Bryukov, Mikhail G., Slagle, Irene R., Knyazev, Vadim D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

25

Does IVR Take Place Prior to Peptide Ion Dissociation?

Hu, Yongjun, Hadas, Boaz, Davidovitz, Mandy, Balta, Bülent, Lifshitz, Chava

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 143 KB

english, 2003

26

Phase Transitions of Malonic and Oxalic Acid Aerosols

Braban, Christine F., Carroll, Matthew F., Styler, Sarah A., Abbatt, Jonathan P. D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 143 KB

english, 2003

27

Infrared Signatures of a Water Molecule Attached to Triatomic Domains of Molecular Anions: Evolution of the H-bonding Configuration with Domain Length

Robertson, William H., Price, Erica A., Weber, J. Mathias, Shin, Joong-Won, Weddle, Gary H., Johnson, Mark A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

28

Methyl Substitution in Hydrocarbon Discharge Chemistry: Diagnosis by Laser Spectroscopy

Schmidt, T. W., Ding, H., Boguslavskiy, A. E., Pino, T., Maier, J. P.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 74 KB

english, 2003

29

Rate Constants for the Gas-Phase Reactions of Methylphenanthrenes with OH as a Function of Temperature

Lee, Woojin, Stevens, Philip S., Hites, Ronald A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 100 KB

english, 2003

30

Kinetics of the CCl 3 + CH 3 Radical−Radical Reaction

Knyazev, Vadim D., Slagle, Irene R., Bryukov, Mikhail G.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 80 KB

english, 2003

31

Search for Electroweak Interactions in Amino Acid Crystals. II. The Salam Hypothesis

Sullivan, Rodney, Pyda, Marek, Pak, J., Wunderlich, Bernard, Thompson, James R., Pagni, Richard, Pan, Hongjun, Barnes, Craig, Schwerdtfeger, Peter, Compton, Robert

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 168 KB

english, 2003

32

On the Existence of FN 5 , a Theoretical and Experimental Study

Netzloff, Heather M., Gordon, Mark S., Christe, Karl, Wilson, William W., Vij, Ashwani, Vij, Vandana, Boatz, Jerry A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 482 KB

english, 2003

33

Excited States of Bromine-Substituted Distyrylbenzenes: Models for Conjugated Polymer Emission

Sarker, Ananda M., Kaneko, Yuji, Lahti, Paul M., Karasz, Frank E.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 95 KB

english, 2003

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