Volume 101; Issue 19

Journal of Physical Chemistry A

Volume 101; Issue 19

1

Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric Forms

Broo, Anders, Holmén, Anders

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 228 KB

english, 1997

2

Theoretical Study of Photochemical Mechanisms of C 3 O Formation

Ekern, Scott, Vala, Martin

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 382 KB

english, 1997

3

Ab Initio Study of the S N 2 Reaction CH 3 Cl + Cl - → Cl - + CH 3 Cl in Supercritical Water with the Polarizable Continuum Model

Pomelli, Christian Silvio, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 178 KB

english, 1997

4

Methylvinyldifluorosilane and Methylvinyldichlorosilane (H 2 CCHSiX 2 CH 3 , X = F, Cl): Structure, Conformation, and Torsional Potential As Determined by Gas-Phase Electron Diffraction and ab Initio Calculations

Johansen, Tore H., Hagen, Kolbjørn, Stølevik, Reidar, Hassler, Karl

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 377 KB

english, 1997

5

Stokes Shift as a Tool for Probing the Solvent Reorganization Energy

Mertz, Edward L., Tikhomirov, Vyacheslav A., Krishtalik, Lev I.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 307 KB

english, 1997

6

Nontraditional Pathways of Extraterrestrial Formation of Prebiotic Matter

Goldanskii, Vitalii I.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

7

Reactions of Triplet Decafluorobenzophenone with Alkenes. A Laser Flash Photolysis Study

Shoute, Lian C. T., Huie, Robert E.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 183 KB

english, 1997

8

Nonradiative Relaxation Processes and Electronically Excited States of Nitrobenzene Studied by Picosecond Time-Resolved Transient Grating Method

Takezaki, M., Hirota, N., Terazima, M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 184 KB

english, 1997

9

Covariance Mapping of Ammonia Clusters: Evidence of the Connectiveness of Clusters with Coulombic Explosion

Card, D. A., Folmer, D. E., Sato, S., Buzza, S. A., Castleman, A. W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 197 KB

english, 1997

10

Ab Initio and Density Functional Studies of HOBr−H 2 O and BrONO 2 −H 2 O Complexes

Ying, Liming, Zhao, Xinsheng

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 118 KB

english, 1997

11

Ab Initio Study of Photochemical Reactions of Ammonia Dimer Systems

Park, Jong Keun, Iwata, Suehiro

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 179 KB

english, 1997

12

Kinetic Studies of the Reactions of Atomic Hydrogen with Iodoalkanes

Yuan, Jessie, Wells, Leah, Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 138 KB

english, 1997

13

Probe-Wavelength Dependence of Picosecond Time-Resolved Anti-Stokes Raman Spectrum of Canthaxanthin: Determination of Energy States of Vibrationally Excited Molecules Generated via Internal Conversion from the Lowest Excited Singlet State

Nakabayashi, Takakazu, Okamoto, Hiromi, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 375 KB

english, 1997

14

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations. 4. The Tetracyclic PAH Isomers Chrysene and 1,2-Benzanthracene

Hudgins, Douglas M., Allamandola, L. J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 134 KB

english, 1997

15

Atmospheric Chemistry of Dimethyl Carbonate: Reaction with OH Radicals, UV Spectra of CH 3 OC(O)OCH 2 and CH 3 OC(O)OCH 2 O 2 Radicals, Reactions of CH 3 OC(O)OCH 2 O 2 with NO and NO 2 , and Fate of CH 3 OC(O)OCH 2 O Radicals

Bilde, M., Møgelberg, T. E., Sehested, J., Nielsen, O. J., Wallington, T. J., Hurley, M. D., Japar, S. M., Dill, M., Orkin, V. L., Buckley, T. J., Huie, R. E., Kurylo, M. J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 409 KB

english, 1997

16

Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

Lahtela, Maija, Pakkanen, Tapani A., Rowley, Richard L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 221 KB

english, 1997

17

NTO Decomposition Products Tracked with 15 N Labels

Oxley, Jimmie C., Smith, James L., Rogers, Evan, Dong, Xiaoxia X.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 151 KB

english, 1997

18

Intrinsic Acceptor Site Selectivity in the Proton Transfer from Alkane Radical Cations to Alkane Molecules. Evidence in γ-Irradiated CCl 3 F/Undecane

Demeyer, Adelheid, Ceulemans, Jan

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 139 KB

english, 1997

19

Wave Packet Dynamics in the Presence of a Conical Intersection

Cattaneo, Paola, Persico, Maurizio

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 254 KB

english, 1997

20

Enhanced Nonradiative Decay in Aqueous Solutions of Aminonaphthalimide Derivatives via Water-Cluster Formation

Yuan, Dongwu, Brown, Robert G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 289 KB

english, 1997

21

Theoretical Study of the Electronic Spectrum of trans -Stilbene

Molina, Vicent, Merchán, Manuela, Roos, Björn O.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

22

Theoretical Studies of the Effects of Metal Ions on the Hydrogen Bonding of Potassium Hydrogen Diacetate

Bian, Jiang, Chen, Zhida

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 126 KB

english, 1997

23

Spectroscopic Study of B−Kr Nonbonding Interactions

Yang, Xin, Dagdigian, Paul J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 138 KB

english, 1997

24

A High-Level Computational Study on the Thermochemistry of Vinyl and Formyl Halides: Heats of Formation, Dissociation Energies, and Stabilization Energies

Glukhovtsev, Mikhail N., Bach, Robert D.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 152 KB

english, 1997

25

Quantum Chemical Reaction Path and Transition State for a Model Cope (and Reverse Cope) Elimination

Komaromi, Istvan, Tronchet, Jean M. J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 326 KB

english, 1997

26

Ab Initio Calculations on the Structures and Energetics of Li 4 OH, Li 3 NaOH, and Li 2 Na 2 OH Isomers

Lee, Chou-Lin, Sheu, Ming-Jyh, Shie, Yi-Shiau, Wu, Deng-Hwa, Ho, Jia-Jen

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

27

Empirical Relations for the Energy Dependence of Fractional Abundance for Nuclear Substitution Reactions

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 57 KB

english, 1997

28

Interactions of Hydroxyurea with a Water Molecule. Ab Initio Molecular Orbital Study

Jabalameli, A., Zhanpeisov, N. U., Nowek, A., Sullivan, R. H., Leszczynski, J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 212 KB

english, 1997

29

Ab Initio Study of the Structures and Vibrational Spectra of Some Diamine Radical Cations

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 195 KB

english, 1997

30

On the Role of Superoxide in the Radical-Induced Degradation of Halogenated Organic Compounds. Evidence for Cross-Termination between O 2•- and Halogenated Peroxyl Radicals

Fliount, Roman, Makogon, Oksana, Asmus, Klaus-Dieter

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 173 KB

english, 1997

31

Photoelectron Spectroscopy Study of Orbital Interactions. Ethynylfurans

Novak, Igor, Ng, Siu Choon, Jin, Shengxi, Huang, Hsing Hua, Huang, Wei

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 296 KB

english, 1997

32

Analysis of Anti-Stokes Resonance Raman Excitation Profiles as a Method for Studying Vibrationally Excited Molecules

Okamoto, Hiromi, Nakabayashi, Takakazu, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 314 KB

english, 1997

33

Ionization Surfaces for Small Molecules

Vallance, Claire, Maclagan, Robert G. A. R., Harland, Peter W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 235 KB

english, 1997

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