Volume 106; Issue 13

Journal of Physical Chemistry A

Volume 106; Issue 13

1

Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels

Vargas, Rubicelia, Garza, Jorge, Hay, Benjamin P., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

2

Spectroscopic, Electrochemical, and Photochemical Studies of Self-Assembled via Axial Coordination Zinc Porphyrin−Fulleropyrrolidine Dyads †

D'Souza, Francis, Deviprasad, Gollapalli R., Zandler, Melvin E., Hoang, Vu T., Klykov, Arkady, VanStipdonk, Michael, Perera, Asiri, El-Khouly, Mohamed E., Fujitsuka, Mamoru, Ito, Osamu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 256 KB

english, 2002

3

Theoretical Study of the Thermal Decomposition Pathways of 2-H Heptafluoropropane

Peterson, Shane D., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 85 KB

english, 2002

4

Innershell Absorption Spectroscopy of Amino Acids

Kaznacheyev, K., Osanna, A., Jacobsen, C., Plashkevych, O., Vahtras, O., Ågren,, Carravetta, V., Hitchcock, A. P.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 226 KB

english, 2002

5

Extraction of the Vibrational Dynamics from Spectra of Highly Excited Polyatomics: DCO

Jung, Christof, Taylor, Howard S., Atılgan, Erdinç

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 483 KB

english, 2002

6

Analysis of Hydronitrogen Species Generated by a Microwave Discharge in (N 2 H 4 )/He

Fujii, Toshihiro, Selvin, Christopher P., Sablier, Michel, Iwase, Keiichiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 51 KB

english, 2002

7

Two-Photon Transitions in CW-ENDOR Spectra of Radicals in Fluid Solution

Lehtovuori, Pekka, Joela, Heikki

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 74 KB

english, 2002

8

Correlations between the Heat of Adsorption and the Position of the Center of the D-Band: Differences between Computation and Experiment

Lu, Chang, Lee, Ivan C., Masel, Richard I., Wieckowski, Andrzej, Rice, Cynthia

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

9

Electronegativity: Atomic Charge and Core Ionization Energies

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 46 KB

english, 2002

10

Theoretical Study of the Reaction of Boron with Methanol and the Decomposition Paths of the Reaction Products

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 53 KB

english, 2002

11

Highly Varying Photophysical Properties of Thiocarbonyls: Validation of Fundamental Theoretical Concepts of Electronic Radiationless Transitions

Moule, David C., Lim, Edward C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

12

Aqueous Complexation Equilibria of m eso -Tetrakis(4-carboxyphenyl)porphyrin with Viologens: Evidence for 1:1 and 1:2 Complexes and Induced Porphyrin Dimerization

Clarke, Suzanne E., Wamser, Carl C., Bell, Harry E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 207 KB

english, 2002

13

Multidimensional Holography by Persistent Spectral Hole Burning

Renn, Alois, Wild, Urs P., Rebane, Aleksander

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 518 KB

english, 2002

14

Theoretical Study of the Interaction of Water and Imidazole with Iron and Nickel Dications

Ricca, Alessandra, Bauschlicher, Charles W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 57 KB

english, 2002

15

Excited State Properties of C 6 H 6 and C 6 D 6 Studied by Feynman Path Integral−ab Initio Simulations

Böhm, Michael C., Schulte, Joachim, Ramírez, Rafael

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

16

Reaction Kinetics in Ionic Liquids as Studied by Pulse Radiolysis: Redox Reactions in the Solvents Methyltributylammonium Bis(trifluoromethylsulfonyl)imide and N -Butylpyridinium Tetrafluoroborate

Behar, D., Neta, P., Schultheisz, Carl

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

17

An Ab Initio Study of the Hydrogen Bond Energy of Base Pairs Formed between Substituted 9-Methylguanine Derivatives and 1-Methylcytosine

Kawahara, Shun-ichi, Uchimaru, Tadafumi, Taira, Kazunari, Sekine, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

18

Pulse Radiolysis Study of Absorption Spectra of Ag 0 and Ag 2+ in Water from Room Temperature up to 380 °C

Mostafavi, Mehran, Lin, Mingzhang, Wu, Guozhong, Katsumura, Yosuke, Muroya, Yusa

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 83 KB

english, 2002

19

Reactions of Atomic Silicon and Germanium with Ammonia: A Matrix-Isolation FTIR and Theoretical Study

Chen, Mohua, Zheng, Aihua, Lu, Hao, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

20

Ab Initio and Density Functional Study of Complexes between the Methylamines and Water

Mmereki, Baagi T., Donaldson, D. J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 129 KB

english, 2002

21

Effect of Potential Energy Gap between the n-π* and the π-π* State on Ultrafast Photoisomerization Dynamics of an Azobenzene Derivative

Hirose, Yasushi, Yui, Hiroharu, Sawada, Tsuguo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 62 KB

english, 2002

22

Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics

Dixon, David A., Feller, David, Zhan, Chang-Guo, Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 63 KB

english, 2002

23

Accuracy of Theoretical Potential Energy Profiles along Proton-Transfer Coordinate for XH−NH 3 (X = F, Cl, Br) Hydrogen-Bonded Complexes

Biczysko, Małgorzata, Latajka, Zdzisław

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

24

Substituent Effect in the Chemical Reactivity and Selectivity of Substituted Cobalt Phthalocyanines

Cárdenas-Jirón, Gloria I.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 158 KB

english, 2002

25

Kinetic Modeling Analysis of the Pyrolysis of Vinyl Bromide

Laws, Patricia Ann, Roscoe, John M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

26

Systematic Studies of the σ and π Stabilizing Effects in the Nitrosyl-Containing Molecules and Their Isovalent Analogues

Young, Matthew A., Thomas, Cienna C., Zhang, Daisy Y.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 66 KB

english, 2002

27

Photochemistry of “Super” Photoacids. 3. Excited-State Proton Transfer from Perfluoroalkylsulfonyl-Substituted 2-Naphthols 1

Clower, Caroline, Solntsev, Kyril M., Kowalik, Janusz, Tolbert, Laren M., Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 148 KB

english, 2002

28

Study of Preferential Solvation in Mixed Binary Solvent as a Function of Solvent Composition and Temperature by UV−Vis Spectroscopic Method

Laha, Ashis Kumar, Das, Parimal Kumar, Bagchi, Sanjib

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 55 KB

english, 2002