Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.101, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

9561 - 9563	Electron affinity of some endohedral lanthanide fullerenes Boltalina OV, Ioffe IN, Sorokin ID, Sidorov LN
9564 - 9570	Effects of pressure and temperature on the dynamics of liquid tert-butyl alcohol Yonker CR, Wallen SL, Palmer BJ, Garrett BC
9571 - 9577	Tb3+ luminescence in Tb-doped and Tb/Gd-doped CsCdBr3 crystals: D-5(4)->D-5(3) cross-relaxation rates in Tb3+ pairs May PS, Sommer KD
9578 - 9586	Ultrafast dynamics of liquid anilines studied by the optical Kerr effect Smith NA, Lin SJ, Meech SR, Shirota H, Yoshihara K
9587 - 9593	Reexamination of chirped pulse control of wave packet motion in NaI Tang H, Rice SA
9594 - 9602	Practical aspects of aligning asymmetric top molecules via single-photon excitation: An application to S-1<-S-0 excitation of glyoxal Weida MJ, Parmenter CS
9603 - 9609	Collisional relaxation of highly vibrationally excited cis-ClFC=CFCl prepared by multiphoton excitation Coronado EA, Ferrero JC
9610 - 9617	NMR shieldings in benzoyl and 2-hydroxybenzoyl compounds. Experimental versus GIAO calculated data Lampert H, Mikenda W, Karpfen A, Kahlig H
9618 - 9631	Vibrational absorption intensities in chemical analysis .9. The near-infrared spectra of methyl branched alkanes Parker ME, Steele D, Smith MJC
9632 - 9640	Hydration of bromide ion in supercritical water: An X-ray absorption fine structure and molecular dynamics study Wallen SL, Palmer BJ, Pfund DM, Fulton JL, Newville M, Ma YJ, Stern EA
9641 - 9649	Perchlorovinylsilane (Cl2C=CCl-SiCl3): Conformational structure, vibrational analysis, and torsional potential determined by gas-phase electron diffraction, ab initio calculations, and variable temperature Raman spectroscopy Johansen TH, Hagen K, Hassler K, Richardson A, Patzold U, Stolevik R
9650 - 9659	An IR matrix isolation and DFT theoretical study of the first steps of the Ti(0) ethylene reaction: Vinyl titanium hydride and titanacyclopropene Lee YK, Manceron L, Papai I
9660 - 9665	Reactions of laser-ablated Al, Ga, In, and Tl atoms with hydrogen cyanide in excess argon. Matrix infrared spectra and density functional theory calculations on new cyanide and isocyanide products Lanzisera DV, Andrews L
9666 - 9672	Reactions of laser-ablated Mg, Ca, Sr, and Ba atoms with hydrogen cyanide in excess argon. Matrix infrared spectra and density functional calculations on novel isocyanide products Lanzisera DV, Andrews L
9673 - 9677	Photophysical properties of squaraine derivatives: Evidence for charge separation CornelissenGude C, Rettig W, Lapouyade R
9678 - 9680	Enhancing the performance of spontaneously oscillatory chemical reactions Otawara K, Fan LT
9681 - 9693	Temperature and pressure dependence of the multichannel rate coefficients for the CH3+OH system Pereira RD, Baulch DL, Pilling MJ, Robertson SH, Zeng G
9694 - 9698	Absolute determination of the temperature behavior of the NO2+NO3+(M)<->N2O5+(M) equilibrium Wangberg I, Etzkorn T, Barnes I, Platt U, Becker KH
9699 - 9703	Reactive scattering of OD radicals with ICl and Br-2 molecules at initial translational energy E similar to 90kJmol(-1) Mohr S, Goonan KM, Wells DD, Grice R
9704 - 9709	Pulse radiolysis studies on the fragmentation of arylmethyl quaternary nitrogen mustards by one-electron reduction in aqueous solution Anderson RF, Denny WA, Li WJ, Packer JE, Tercel M, Wilson WR
9710 - 9719	High-level ab initio calculations on the intramolecular hydrogen bond in thiomalonaldehyde Gonzalez L, Mo O, Yanez M
9720 - 9727	Hydrogen bonding in supercritical water .2. Computer simulations Kalinichev AG, Bass JD
9728 - 9731	Linear free energy relationship in ion thermochemistry Shea DA, Steenvoorden RJJM, Chen P
9732 - 9737	Bonding of atomic S to Pt(111) from ab initio explicitly correlated cluster model wave functions Illas F, Ricart JM, Clotet A
9738 - 9744	Theoretical study of the atmospheric reaction between dimethyl sulfide and chlorine atoms Resende SM, DeAlmeida WB
9745 - 9748	Carbonyl hypofluorite - A density functional theoretical study McKee ML, Webb TR
9749 - 9755	Infrared intensities, atomic charges, and dipole moments in the fluoroethane series using atomic polar tensor analysis Tai S, Illinger KH, Papasavva S
9756 - 9762	Calculation of NMR chemical shifts and spin-spin coupling constants in the monosaccharide methyl-beta-D-xylopyranoside using a density functional theory approach Hricovini M, Malkina OL, Bizik F, Nagy LT, Malkin VG
9763 - 9772	Alanine radicals: Structure determination by EPR and ENDOR of single crystals X-irradiated at 295 K Sagstuen E, Hole EO, Haugedal SR, Nelson WH
9773 - 9777	Push-pull phthalocyanines: A Hammett correlation between the cubic hyperpolarizability and the donor-acceptor character of the substituents Sastre A, DiazGarcia MA, delRey B, Dhenaut C, Zyss J, Ledoux I, AgulloLopez F, Torres T
9778 - 9782	Theoretical study of OH and H2O addition to SO2 Li WK, McKee ML
9783 - 9790	Vibrational circular dichroism study of (-)-sparteine Bour P, McCann J, Wieser H
9791 - 9800	Theoretical study of the influence of electric fields on hydrogen-bonded acid-base complexes Ramos M, Alkorta I, Elguero J, Golubev NS, Denisov GS, Benedict H, Limbach HH
9801 - 9812	Theoretical study of the 15- and 17-electron structures of cyclopentadienylchromium(III) and cyclopentadienylmolybdenum(III) complexes. Dichloride and dimethyl compounds Cacelli I, Keogh DW, Poli R, Rizzo A
9813 - 9817	Effect of hydrogen bonding on the spin density distribution and hyperfine couplings of the p-benzosemiquinone anion radical in alcohol solvents: A hybrid density functional study OMalley PJ
9818 - 9823	Novel beta-distonic radical cations [CnH2n+2S](.+) (n=2, 3) formed upon decarbonylation of ionized S-alkyl thioformates: A mass spectrometric and ab initio study Flammang R, Lahem D, Nuyen MT