Volume 102; Issue 27

Journal of Physical Chemistry A

Volume 102; Issue 27

1

C 60 Topological Isomers: Other Carbon Allotropes

Dobrowolski, Jan Cz., Mazurek, Aleksander P.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 36 KB

english, 1998

2

Effects of Electronic Structures on the Excited-State Intramolecular Proton Transfer of 1-Hydroxy-2-acetonaphthone and Related Compounds

Tobita, Seiji, Yamamoto, Masataka, Kurahayashi, Noriko, Tsukagoshi, Rie, Nakamura, Yosuke, Shizuka, Haruo

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 222 KB

english, 1998

3

Molecular Structures and Vibrational Frequencies of Iron Carbonyls: Fe(CO) 5 , Fe 2 (CO) 9 , and Fe 3 (CO) 12

Jang, Jee Hwan, Lee, Jung Goo, Lee, Hosull, Xie, Yaoming, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 116 KB

english, 1998

4

Diffusion-Driven Front Instability in a Three-Dimensional Medium

Tóth, Ágota, Veisz, Bernadett, Horváth, Dezső

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 113 KB

english, 1998

5

Comparative Study of Electron Correlation and Relativistic Effects in CuF, AgF, and AuF

Iliaš, Miroslav, Furdík, Peter, Urban, Miroslav

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 65 KB

english, 1998

6

Correlated, Static and Dynamic Polarizabilities of Small Molecules. Comparison of Four “Black Box” Methods

Dalskov, Erik K., Sauer, Stephan P. A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 57 KB

english, 1998

7

Conformation and Solvent Dependence of the First Molecular Hyperpolarizability of Pyridinium- N -Phenoxide Betaine Dyes. Quantum Chemical Calculations

Bartkowiak, Wojciech, Lipiński, Józef

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 76 KB

english, 1998

8

Gas-Phase Chemistry of the Sulfur Hexafluoride Fragment Ions SF n + ( n = 0−5) and SF n 2+ ( n = 2, 4). Ab Initio Thermochemistry of Novel Reactions of S +• and SF +

Sparrapan, Regina, Mendes, Maria Anita, Ferreira, Isabel P. P., Eberlin, Marcos N., Santos, Cristiano, Nogueira, José Carlos

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 221 KB

english, 1998

9

Ab Initio Calculations of the Structure, Kinetics, and Infrared Laser Chemical Reaction Dynamics of Fluorooxirane †

Ha, Tae-Kyu, Pochert, Jörg, Quack, Martin

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 352 KB

english, 1998

10

Photoinduced Electron Transfer between C 60 /C 70 and Zinc Tetraphenylporphyrin in Polar Solvents

Nojiri, Tatsuya, Watanabe, Akira, Ito, Osamu

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 117 KB

english, 1998

11

Photocyclization of Substituted Allyl Radicals and Properties of the Resulting Cyclopropyl Radicals

Radzig, V. A., Ustynyuk, L. Yu., Osokina, N. Yu., Pergushov, V. I., Mel'nikov, M. Ya.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 152 KB

english, 1998

12

Experimental and Computational Investigations of the Reaction of OH with CF 3 I and the Enthalpy of Formation of HOI

Berry, R. J., Yuan, Jessie, Misra, Ashutosh, Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 109 KB

english, 1998

13

On the Mechanism of the Spin-Nonconserving Chemical Reaction O( 3 P) + HCCH → CH 2 (ã 1 A 1 ) + CO(X 1 Σ + ). I. Feasibility

Yarkony, David R.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 103 KB

english, 1998

14

Existence of Negative Activation Energies in Simple Bimolecular Metathesis Reactions and Some Observations on Too-Fast Reactions

Benson, Sidney W., Dobis, Otto

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 132 KB

english, 1998

15

Probing the Limits of Resonance Stabilization. The Case of Linear Polyacenes

Notario, Rafael, Abboud, José-Luis M.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 190 KB

english, 1998

16

Absolute Intensities of Nitric Acid Overtones

Donaldson, D. J., Orlando, J. J., Amann, S., Tyndall, G. S., Proos, R. J., Henry, B. R., Vaida, V.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 49 KB

english, 1998

17

Exchange Interaction in Radical−Triplet Pairs: Evidences for CIDEP Generation by Level Crossings in Triplet−Doublet Interactions

Kobori, Yasuhiro, Takeda, Keizo, Tsuji, Kazuhide, Kawai, Akio, Obi, Kinichi

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

18

Theoretical Study of the Solvent Effect on Functional Group Properties and on the Charge Distribution and Acidity of Alkyl-Substituted Alcohols

Safi, B., Choho, K., De Proft, F., Geerlings, P.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 98 KB

english, 1998

19

Determination of Rate Coefficients for Reactions of Formaldehyde Pyrolysis and Oxidation in the Gas Phase

Eiteneer, B., Yu, C.-L., Goldenberg, M., Frenklach, M.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 301 KB

english, 1998

20

Density Functional Study of Ribose and Deoxyribose Chemical Shifts

Dejaegere, Annick P., Case, David A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

21

Ab Initio and Density Functional Investigation of Reactions of NO with XCO (X = H, F, Cl)

Kulkarni, Sudhir A., Koga, Nobuaki

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 112 KB

english, 1998

22

Concentration Effect on the Absorption and Emission Spectra of the 9-Oxa-2,3,4‘-methoxybenzobicyclo[4.3.0]non-1(6)-ene-7,8-dione: Self-Associated Dimer and Excimer

Dkaki, M., Ait-Lyazidi, S., Haddad, M., Hnach, M., Cazeau-Dubroca, C., Aycard, J. P.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 79 KB

english, 1998