Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.101, No.49 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (52 articles)

9187 - 9190	Inverse kinetic isotope effect in the reaction of atomic chlorine with C2H4 and C2D4 Stutz J, Ezell MJ, FinlaysonPitts BJ
9191 - 9194	Prediction of singlet-triplet splittings for aryne biradicals from H-1 hyperfine interactions in aryl radicals Cramer CJ, Squires RR
9195 - 9206	Electronic quenching of OH A (2)Sigma(+) (v' = 0, 1) in complexes with hydrogen and nitrogen Lester MI, Loomis RA, Schwartz RL, Walch SP
9207 - 9216	Proton NMR relaxation in six-coordinate low-spin Iron(III) tetraphenylporphyrinates: Temperature dependence of proton relaxation rates and interpretation of NOESY experiments Momot KI, Walker FA
9217 - 9223	Gateway modes in the collisional energy transfer from highly vibrationally excited CS2 Lendvay G
9224 - 9232	Nonintuitive asymmetry in the three-body photodissociation of CH3COCN North SW, Marr AJ, Furlan A, Hall GE
9233 - 9239	Time-resolved studies of fluorescence quenching in supercritical carbon dioxide: System dependence in the enhancement of bimolecular reaction rates at near-critical densities Bunker CE, Sun YP, Gord JR
9240 - 9252	Far-infrared spectrum, ab initio calculations, conformational energy differences, barriers to internal rotation, and r(0) structure of propanal Durig JR, Guirgis GA, Bell S, Brewer WE
9253 - 9256	Substituent and matrix effects on the excited triplet states of 1,4-naphthoquinones Shimokage T, Ikoma T, Akiyama K, TeroKubota S, Yamaji M, Shizuka H
9257 - 9259	Intracluster ion-molecule reactions of phenylsilane dimer cation following the charge resonance band excitation Ishikawa H, Hashimoto J, Mikami N
9260 - 9271	Photochemical reaction of ozone with 2-iodopropane and the four polyfluoroiodoethanes C2F5I, CF3CH2I, CF2HCF2I, and CF3CFHI in solid argon at 14 K. FTIR spectra of the iodoso-intermediates (Z-IO), the iodyl-intermediates (Z-IO2), and the various complexes (CH3)(2)C=O center dot center dot center dot HI, CF3C(O)H center dot center dot center dot XI, CF2HC(O)F center dot center dot center dot XI (where X=H or F) Clark RJH, Dann JR, Foley LJ
9272 - 9275	Free jet absorption millimeter wave spectrum and van der Waals potential energy surface of the pyridazine-argon adduct Caminati W, Millemaggi A, Favero PG, Makarewicz J
9276 - 9285	Molecular relaxation in supersonic free jets of N-2 and CH4 from stimulated Raman spectroscopy and time-of-flight measurements Abad L, Bermejo D, Herrero VJ, Santos J, Tanarro I
9286 - 9295	Resonance Raman investigation of the MLCT transition in [Pt(dppm)(2)(PhC=C)(2)] and the MMLCT transition in [Pt-2(mu-dppm)(2)(mu-PhC=C)(PhC=C)(2)](+) Kwok WM, Phillips DL, Yeung PKY, Yam VWW
9296 - 9301	C-6(-) carbon cluster anion: An infrared absorption and resonance Raman isotopic study Szczepanski J, Auerbach E, Vala M
9302 - 9308	Complete structure of the anti rotamer of 1,2-difluoroethane from high-resolution infrared spectroscopy Craig NC, Chen A, Suh KH, Klee S, Mellau GC, Winnewisser BP, Winnewisser M
9309 - 9313	Photoinduced nucleation of CS2 vapor in a flow photochemical reactor He HH, Heist RH
9314 - 9317	Linkage isomerism and the relativistic effect in interaction of lanthanoid and carbon monoxide Hong GY, Lin XJ, Li LM, Xu GX
9318 - 9326	Some new aspects of product distribution functions for three-atom unimolecular reactions performed in beam experiments Bonnet L, Rayez JC
9327 - 9332	Absolute rate constants for allylic abstraction of hydrogen by atomic hydrogen Tanner DD, Zhang LY, Kandanarachchi P
9333 - 9340	UV-visible absorption spectroscopy to examine shock-induced decomposition in neat nitromethane Winey JM, Gupta YM
9341 - 9343	Shock tube study of the reaction of H atoms with TiCl4 Herzler J, Roth P
9344 - 9350	XeO+ and XeOH+ ions: A new class of powerful oxidative oxygenating agents in the gas phase Filippi A, Troiani A, Speranza M
9351 - 9358	Rate constants and branching ratios for the reactions of selected atmospheric primary cations with n-octane and isooctane (2,2,4-trimethylpentane) Arnold ST, Viggiano AA, Morris RA
9359 - 9366	Uptake of nitrosyl chloride (NOCl) by aqueous solutions Scheer V, Frenzel A, Behnke W, Zetzsch C, Magi L, George C, Mirabel P
9367 - 9376	Bistability without hysteresis in chemical reaction systems: A theoretical analysis of irreversible transitions between multiple steady states Guidi GM, Goldbeter A
9377 - 9381	Kinetic study of the reaction of Ir(a(4)F(9/2)) with CH4, O-2, and N2O Campbell ML
9382 - 9390	Kinetic and mechanistic study of the reaction of atomic chlorine with methyl iodide over the temperature range 218-694 K Ayhens YV, Nicovich JM, McKee ML, Wine PH
9391 - 9398	Density functional theory predictions of second-order hyperpolarizabilities of metallocenes Matsuzawa N, Seto J, Dixon DA
9399 - 9404	Through-resonance assisted ionic hydrogen bonding in 5-nitro-N-salicylideneethylamine Krygowski TM, Wozniak K, Anulewicz R, Pawlak D, Kolodziejski W, Grech E, Szady A
9405 - 9409	Accurate calculations of the electron affinity and ionization potential of the methyl radical Dixon DA, Feller D, Peterson KA
9410 - 9414	Ab initio study of the relative energies and properties of fluoroborazines Parker JK, Davis SR
9415 - 9420	Theoretical study on 1,2-dihydroxybenzene and 2-hydroxythiophenol: Intramolecular hydrogen bonding Chung G, Kwon O, Kwon Y
9421 - 9429	Energetics, kinetics, and product distributions of the reactions of ozone with ethene and 2,3-dimethyl-2-butene Olzmann M, Kraka E, Cremer D, Gutbrod R, Andersson S
9430 - 9438	An ab initio QCISD study of the potential energy surface for the reaction HNO+NO->N2O+OH Bunte SW, Rice BM, Chabalowski CF
9439 - 9444	Third-harmonic generation in mixed-valent Ru-pyrazine chains: A theoretical study Ferretti A, Lami A, Villani G
9445 - 9448	Diamond nucleation on hexagonal boron nitride: A theoretical investigation of the influence of nearest substituents Carbone M, Larsson K, Carlsson JO
9449 - 9456	Accurate enthalpies of formation for CrX(g), X = O, OH, and F. A computational study Espelid O, Borve KJ
9457 - 9463	Unusual hydrogen bonds: H center dot center dot center dot pi interactions Rozas I, Alkorta I, Elguero J
9464 - 9469	Bond energies and hardness differences Gazquez JL
9470 - 9488	Theoretical study of the thermochemistry of molecules in the Si-B-H-Cl system Ho P, Colvin ME, Melius CF
9489 - 9495	Thioguanine and thiouracil: Hydrogen-bonding and stacking properties Sponer J, Leszczynski J, Hobza P
9496 - 9504	Electronic and magnetic properties of neutral and charged quinone and plastoquinone radicals Eriksson LA, Himo F, Siegbahn PEM, Babcock GT
9505 - 9510	Enthalpies of formation and group additivity of alkyl peroxides and trioxides Lay TH, Bozzelli JW
9511 - 9519	High-pressure effect on one- and two-photon-excited fluorescence of organic molecules in solid polymers Dreger ZA, Yang G, White JO, Li Y, Drickamer HG
9520 - 9524	On the relation between bonding and the spin-orbit interaction in BNe: the C-2 Delta and 1(4)Pi states Sohlberg K, Yarkony DR
9525 - 9530	Gas-phase basicities and acidities of ethyl-, vinyl-, and ethynylarsine. An experimental and theoretical study Guillemin JC, Decouzon M, Maria PC, Gal JF, Mo O, Yanez M
9531 - 9536	Electronic distribution in the metal-to-ligand charge transfer (MLCT) excited states of [(4,4'-(X)(2)bpy)(CO)(3)Re-I(4,4'-bpy)Re-I(CO)(3)(4,4'-(X)(2)bpy)](2+) (X = H, CH3). Application of time-resolved infrared and resonance Raman spectroscopies Omberg KM, Schoonover JR, Meyer TJ
9537 - 9544	Quadrupolar relaxation of Ne-21, Kr-83, and Xe-131 dissolved in acetonitrile. A molecular dynamics study Odelius M, Holz M, Laaksonen A
9545 - 9550	Ab initio study of the electronic structure of XSO and XSO2 (X = F, Cl) radicals Li ZJ
9551 - 9559	Theoretical analysis of the bonding between CO and positively charged atoms Lupinetti AJ, Fau S, Frenking G, Strauss SH
9560 - 9560	Improved theoretical pi-pi* absorption and circular dichroic spectra of helical polypeptides using new polarizabilities of atoms and NC'O chromophores (vol 100, pg 17829, 1996) Bode KA, Applequist J