Volume 103; Issue 35

Journal of Physical Chemistry A

Volume 103; Issue 35

1

Are Hydrogen Bonds Covalent or Electrostatic? A Molecular Orbital Comparison of Molecules in Electric Fields and H-Bonding Environments

Dannenberg, J. J., Haskamp, Laury, Masunov, Artëm

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

2

Theoretical Investigation and Molecular Design of Some Azulene Derivatives with Large Hyperpolarizabilities

Wang, Peng, Zhu, Peiwang, Ye, Cheng, Asato, Alfred E., Liu, Robert S. H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 93 KB

english, 1999

3

Static and Time-Resolved Spectroscopic Studies of Low-Symmetry Ru(II) Polypyridyl Complexes

Curtright, Aimee E., McCusker, James K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

4

An Extension of the Marcus Equation for Atom Transfer Reactions

Blowers, Paul, Masel, Richard I.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 145 KB

english, 1999

5

Molecular and Supramolecular Structures of N -Phenyl Formamide and its Hydrated Clusters

Dickinson, John A., Hockridge, Matthew R., Robertson, Evan G., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 190 KB

english, 1999

6

ESR Signal in Azafullerene (C 59 N) 2 Induced by Thermal Homolysis

Simon, Ferenc, Arčon, Denis, Tagmatarchis, Nikos, Garaj, Slaven, Forro, Laszlo, Prassides, Kosmas

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 46 KB

english, 1999

7

Thermochemical Values of Oxygen-Containing Compounds from ab Initio Calculations. 1. Enthalpies of Formation of Ethers and Alcohols

DeTar, DeLos F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 247 KB

english, 1999

8

Multiply Charged Intact Ions of Polyatomic Cyclic Molecules Generated by a Strong Laser Field

Kosmidis, C., Tzallas, P., Ledingham, K. W. D., McCanny, T., Singhal, R. P., Taday, P. F., Langley, A. J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

9

Resonance Raman Intensity Analysis of Vibrational and Solvent Reorganization in Photoinduced Charge Transfer

Kelley, Anne Myers

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 271 KB

english, 1999

10

Protonation and Deprotonation Effects on the Chemistry of the Third-Row Elements: Homolytic versus Heterolytic Cleavage

Boyd, Susan L., Boyd, Russell J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

11

Hydrogen Migration in the Phenylethen-2-yl Radical

Moriarty, Nigel W., Brown, Nancy J., Frenklach, Michael

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

12

Infrared Spectra and Density Functional Calculations of RuCO + , OsCO + , Ru(CO) x , Os(CO) x , Ru(CO) x - and Os(CO) x - ( x = 1−4) in Solid Neon

Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

13

14 N/ 15 N and 12 C/ 13 C Equilibrium Isotope Effects on the Electron-Transfer Reaction between N -Methylphenothiazine and Its Radical Cation

Lü, Jianming, Chen, Yadong, Wen, Xiaoling, Wu, Long-Min, Jia, Xueqing, Liu, You-Cheng, Liu, Zhong-Li

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 194 KB

english, 1999

14

Product Branching Fractions and Kinetic Isotope Effects for the Reactions of OH and OD Radicals with CH 3 SH and CH 3 SD

Butkovskaya, N. I., Setser, D. W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 154 KB

english, 1999

15

Reactions of N(2 2 D) with CH 3 OH and Its Isotopomers

Umemoto, Hironobu, Kongo, Koichi, Inaba, Shigenobu, Sonoda, Yasuyuki, Takayanagi, Toshiyuki, Kurosaki, Yuzuru

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

16

Molecular Orbital Study of Crystalline p -Benzoquinone

Cárdenas-Jirón, Gloria I., Masunov, Artëm, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 43 KB

english, 1999

17

Kinetic Study of OH + OH and OD + OD Reactions

Bedjanian, Y., Le Bras, G., Poulet, G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 151 KB

english, 1999

18

Characterization of the Reaction Products of Laser-Ablated Late Lanthanide Metal Atoms with Molecular Oxygen: Infrared Spectra of LnO, LnO + , LnO - , LnO 2 , LnO 2- , LnO 3- , and (LnO) 2 in Solid Argon

Willson, Stephen P., Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

19

Photochemistry of “Super”-Photoacids. Solvent Effects

Solntsev, Kyril M., Huppert, Dan, Agmon, Noam

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 194 KB

english, 1999

20

Thermochemistry of Gas-Phase Molecular Complexes of Fluorobenzene and Toluene with Oxygen

Casero, Juan J., Joens, Jeffrey A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 38 KB

english, 1999

21

A Generalized Resonance Model for Substituted 1,4-Benzoquinones

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 65 KB

english, 1999

22

Quantum Chemical Studies on the Thermochemistry of Alkyl and Peroxyl Radicals

Brinck, Tore, Lee, Hau-Nan, Jonsson, Mats

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

23

Intramolecular Solvation of Carboxylate Anions in the Gas Phase

Norrman, K., McMahon, T. B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 159 KB

english, 1999

24

Dissociative Electron Attachment during the Laser Desorption of Anthracene Picrate

Hankin, Steven M., John, Phillip

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 66 KB

english, 1999

25

Proton−Water Charge-Transfer Processes: Follow-Up Study Using Configuration Interaction Calculations

Di Giacomo, F., Gianturco, F. A., Nikitin, E. E., Schneider, F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 136 KB

english, 1999

26

Third-Order Nonlinear Optical Properties of Sulfur-Rich Compounds

Breitzer, Jonathan G., Dlott, Dana D., Iwaki, Lawrence K., Kirkpatrick, Sean M., Rauchfuss, Thomas B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 124 KB

english, 1999

27

Competitive Threshold Collision-Induced Dissociation: Gas-Phase Acidities and Bond Dissociation Energies for a Series of Alcohols

DeTuri, Vincent F., Ervin, Kent M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

28

Structure−Property Correlation on Second Hyperpolarizabilities of Symmetric One-Center and Three-Center Radicals

Yamada, Satoru, Nakano, Masayoshi, Yamaguchi, Kizashi

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 1.21 MB

english, 1999

29

The Competitive Effect of Intramolecular Charge Transfer on the Photochromism of Spiro[cyclohexadiene-indolines] Studied by ps-Spectroscopy

Häupl, T., Zimmermann, T., Hermann, R., Brede, O.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999