Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.19 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (57 articles)

3577 - 3579	New quantum chemical parameter for the substituent effect in benzene based on charge flux Lee JY, Mhin BJ, Kim KS
3580 - 3597	Exposing solvent's roles in electron transfer reactions: Tunneling pathway and solvation Zimmt MB, Waldeck AH
3598 - 3605	Connection between proton abnormal conductivity in water and dielectric relaxation time Cohen B, Huppert D
3606 - 3611	Femtosecond photolysis of HOCl(aq): Dissipation of fragment kinetic energy Madsen A, Thomsen CL, Poulsen JA, Jensen SJK, Thogersen J, Keiding SR, Krissinel EB
3612 - 3624	Oligo(cyclohexylidene)s and oligo(cyclohexyl)s as bridges for photoinduced intramolecular charge separation and recombination Oosterbaan WD, Koper C, Braam TW, Hoogesteger FJ, Piet JJ, Jansen BAJ, van Walree CA, van Ramesdonk HJ, Goes M, Verhoeven JW, Schuddeboom W, Warman JM, Jenneskens LW
3625 - 3632	Kinetics of isomerization via photoinduced electron transfer. I. Spectral analysis and structural reorganization of hexamethyl dewar benzene exciplexes Kiau S, Liu GH, Shukla D, Dinnocenzo JP, Young RH, Farid S
3633 - 3638	A mechanical force accompanies fluorescence resonance energy transfer (FRET) Cohen AE, Mukamel S
3639 - 3647	Direct measurement of singlet-triplet splitting within rodlike photogenerated radical ion pairs using magnetic field effects: Estimation of the electronic coupling for charge recombination Weiss EA, Ratner MA, Wasielewski MR
3648 - 3654	Effect of moisture on the field dependence of mobility for gas-phase ions of organophosphorus compounds at atmospheric pressure with field asymmetric ion mobility spectrometry Krylova N, Krylov E, Eiceman GA, Stone JA
3655 - 3659	Photoisomerization and tunneling isomerization of tetrachlorohydroquinone in a low-temperature argon matrix Akai N, Kudoh S, Nakata M
3660 - 3669	Electronic absorption spectra of neutral perylene (C20H12), terrylene (C30H16), and quaterrylene (C40H20) and their positive and negative ions: Ne matrix-isolation spectroscopy and time-dependent density functional theory calculations Halasinski TM, Weisman JL, Ruiterkamp R, Lee TJ, Salama F, Head-Gordon M
3670 - 3677	Contrasting behaviors of metal fullerides C60Rhx and C60Mx (M=La, Y) in the metallofullerene formation by laser ablation Kong QY, Zhuang J, Xu J, Shen YF, Li YF, Zhao L, Cai RF
3678 - 3686	NH stretching vibrations of jet-cooled aniline and its derivatives in the neutral and cationic ground states Honda M, Fujii A, Fujimaki E, Ebata T, Mikami N
3687 - 3691	Hydration of alkylannnonium ions in the gas phase Gilligan JJ, Lampe FW, Nguyen VQ, Vieira NE, Yergey AL
3692 - 3695	Electron spin-echo envelope modulation induced by slow intramolecular motion Kulik LV, Grigor'ev IA, Salnikov ES, Dzuba SA, Tsvetkov YD
3696 - 3703	Kinetics and thermochemistry for the gas-phase keto-enol tautomerism of phenol <-> 2,4-cyclohexadienone Zhu L, Bozzelli JW
3704 - 3707	A laser flash photolysis study of diphenylphosphoryl azide. Kinetics of singlet and triplet nitrene processes Gohar GA, Platz MS
3708 - 3718	Semiclassical calculation of reaction rate constants for homolytical dissociation reactions of interest in organometallic vapor-phase epitaxy (OMVPE) Cardelino BH, Moore CE, Cardelino CA, McCall SD, Frazier DO, Bachmann KJ
3719 - 3727	Time-resolved fluorescence study on liquid oligo(ethylene oxide)s: Coumarin 153 in poly(ethylene glycol)s and crown ethers Shirota H, Segawa H
3728 - 3732	The reaction of HCCO+O-2: Experimental evidence of prompt CO2 by time-resolved Fourier transform spectroscopy Osborn DL
3733 - 3740	Absolute reaction rates of chlorine atoms with CF3CH2OH, CHF2CH2OH, and CH2FCH2OH Papadimitriou VC, Prosmitis AV, Lazarou YG, Papagiannakopoulos P
3741 - 3746	Influence of superfluidity on recombination reactions of H+T -> HT and T+T -> T-2 in He-3-He-4 quantum media under saturated vapor pressure at 1.6 K Aratono Y, Iguchi K, Okuno K, Kumada T
3747 - 3751	Kinetic study of the recombination reaction of gas phase Pd(a(1)S(0)) with O-2 from 294 to 523 K Campbell ML, Plane JMC
3752 - 3758	A theoretical study on the kinetics of hydrogen abstraction reactions of methyl or hydroxyl radicals with hydrogen sulfide Mousavipour SH, Namdar-Ghanbari MA, Sadeghian L
3759 - 3763	Intramolecular charge-transfer dynamics in p-dimethylaminobenzonitrile-acetonitrile clusters. A new twist Saigusa H, Iwase E, Nishimura M
3764 - 3768	Spectroscopy of hydrothermal reactions. 24. Kinetics of alkyl azide decomposition channels and N-3(-) behavior in water above 200 degrees C at 275 bar Miksa D, Brill TB
3769 - 3777	Steady-state distributions of O-2 and OH in the high atmosphere and implications in the ozone chemistry Varandas AJC
3778 - 3791	Thermochemical and kinetic analysis of the formyl methyl radical plus O-2 reaction system Lee J, Bozzelli JW
3792 - 3802	Information theoretic approach to fluctuations and electron flows between molecular fragments Nalewajski RF
3803 - 3811	ReaxFF(SiO) reactive force field for silicon and silicon oxide systems van Duin ACT, Strachan A, Stewman S, Zhang QS, Xu X, Goddard WA
3812 - 3821	Geometries and electronic structures of group 10 and 11 metal carbonyl cations, [M(CO)(n)](x+) (Mx+ = Ni2+, Pd2+, Pt2+, Cu+, Ag+, Au+; n=1-4) Mogi K, Sakai Y, Sonoda T, Xu Q, Souma Y
3822 - 3830	Conical intersections in solution: A QM/MM study using floating occupation semiempirical configuration interaction wave functions Toniolo A, Granucci G, Martinez TJ
3831 - 3835	Chemical reactivity in the {N, N-S, nu(r)} space Melin J, Aparicio F, Galvan M, Fuentealba P, Contreras R
3836 - 3840	Ab initio studies of ClOx radical reactions: V. Evidence for a new path in the Cl+ClOOCl reaction Zhu RS, Lin MC
3841 - 3850	Ab initio studies of ClOx reactions: VI. Theoretical prediction of total rate constant and product branching probabilities for the HO2+ClO reaction Xu ZF, Zhu RS, Lin MC
3851 - 3857	Large phosphorus hyperfine coupling as a sensitive tool for studying molecular dynamics: ESR and molecular mechanics studies of ring interconversion in the cis-2,5-diphosphoryl-2,5-dimethyl-pyrrolidinoxyl radical Rockenbauer A, Gaudel-Siri A, Siri D, Berchadsky Y, Le Moigne F, Olive G, Tordo P
3858 - 3865	Time-resolved resonance Raman study of triplet arylnitrenes and their dimerization reaction Ong SY, Chan PY, Zhu PZ, Leung KH, Phillips DL
3866 - 3876	Li-7 solid-state nuclear magnetic resonance as a probe of lithium species in microporous carbon anodes Hayes SE, Guidotti RA, Even WR, Hughes PJ, Eckert H
3877 - 3883	Model valence-bond studies of aspects of electron conduction along a linear chain of lithium atoms Harcourt RD, Styles ML
3884 - 3890	Theoretical investigation of the kinetics for the reactions of atomic hydrogen with GeH(4-n)Cln (n=0, 1, 2, 3) Zhang QZ, Gu YS, Wang SK
3891 - 3897	Molecular structure of butanediol isomers in gas and liquid states: Combination of DFT calculations and infrared spectroscopy studies Jesus AJL, Rosado MTS, Leitao MLP, Redinha JS
3898 - 3906	Robust and affordable multicoefficient methods for thermochemistry and thermochemical kinetics: The MCCM/3 suite and SAC/3 Lynch BJ, Truhlar DG
3907 - 3917	Calculation of the microscopic and macroscopic linear and nonlinear optical properties of acetonitrile: I. Accurate molecular properties in the gas phase and susceptibilities of the liquid in Onsager's reaction-field model Reis H, Papadopoulos MG, Avramopoulos A
3918 - 3924	N-H center dot center dot center dot pi interactions in indole center dot center dot center dot benzene-h(6),d(6) and indole center dot center dot center dot benzene-h(6),d(6) radical cation complexes. Mass analyzed threshold ionization experiments and correlated ab initio quantum chemical calculations Braun J, Neusser HJ, Hobza P
3925 - 3934	Catalytic model reactions for the HCN isomerization. I. Theoretical characterization of some water-catalyzed mechanisms Gardebien F, Sevin A
3935 - 3941	Catalytic model reactions for the HCN isomerization. II. Theoretical investigation of an anionic pathway Gardebien F, Sevin A
3942 - 3951	Large off-diagonal contribution to the second-order optical nonlinearities of Lambda-shaped molecules Yang ML, Champagne B
3952 - 3959	Influence of stacking interactions on NMR chemical shielding tensors in benzene and formamide homodimers as studied by HF, DFT and MP2 calculations Czernek J
3960 - 3965	Flexible molecular model of methanol for a molecular dynamics study of liquid and supercritical conditions Honma T, Liew CC, Inomata H, Arai K
3966 - 3969	Determination of long-range C-13-C-13 dipolar couplings using a C-13 labeled liquid crystal Tan CB, Fung BM
3970 - 3980	Charge hopping in molecular wires as a sequence of electron-transfer reactions Berlin YA, Hutchison GR, Rempala P, Ratner MA, Michl J
3981 - 3986	Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of X(2)A' BeOH Koput J, Peterson KA
3987 - 3994	An extension of the Hammond postulate. Structural effects on the classification of chemical reactions Bulat FA, Toro-Labbe A
3995 - 4000	Spectroscopically probing microscopic solvent properties of room-temperature ionic liquids with the addition of carbon dioxide Lu J, Liotta CL, Eckert CA
4001 - 4005	Attempts to observe spin catalysis by paramagnetic particles in the photolysis of 7-silanorbornadiene in solution Volkova OS, Taraban MB, Plyusnin VF, Leshina TV, Egorov MP, Nefedov OM
4006 - 4007	Reduced mass in the one-dimensional treatment of tunneling Truhlar DG, Garrett BC
4008 - 4008	Role of cancellation of errors in ab initio calculations: Structure and energetics of the OH- (H2O) system and electric dipole properties of the subsystems (vol 106, pg 12086, 2002) Weck G, Milet A, Moszynski R, Kochanski E