Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.20 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

4009 - 4018	Structure, bonding, and vibrational frequencies of CH3CN-BF3: New insight into medium effects and the discrepancy between the experimental and theoretical geometries Giesen DJ, Phillips JA
4019 - 4024	Photoisomerization and photodissociation of m-xylene in a molecular beam Huang CL, Jiang JC, Lee YT, Ni CK
4025 - 4031	Dielectric spectroscopy of aqueous solutions of KCl and CsCl Chen T, Hefter G, Buchner R
4032 - 4040	Electronic and infrared spectroscopy of anthranilic acid in a supersonic jet Southern CA, Levy DH, Florio GM, Longarte A, Zwier TS
4041 - 4045	Mass-resolved nanosecond laser spectroscopy of jet-cooled ferrocene in the region of the 3d(z)(2) -> R4p(x,y) one-photon Rydberg transition Ketkov SY, Selzle HL, Schlag EW, Domrachev GA
4046 - 4055	Prototype microsolvation of aromatic hydrocarbon cations by polar ligands: IR spectra of benzene(+)-Ln clusters (L = H2O, CH3OH) Solca N, Dopfer O
4056 - 4065	Comparison of BN and AlN substitution on the structure and electronic and chemical properties of C-60 fullerene Pattanayak J, Kar T, Scheiner S
4066 - 4071	Interaction of O-2 with gold clusters: Molecular and dissociative adsorption Yoon B, Hakkinen H, Landman U
4072 - 4080	Femtosecond resonance-enhanced multiphoton ionization of perylene in hexane. Electronic excitation of the radical cation and evidence of hydrogen abstraction from the solvent Greever JS, Turner JBM, Kauffman JF
4081 - 4091	Matrix infrared spectra and density functional theory calculations of manganese and rhenium hydrides Wang XF, Andrews L
4092 - 4095	Mechanism of metal-to-ligand charge transfer sensitization of olefin trans-to-cis isomerization in the fac-[Re-I(phen)(CO)(3)(1,2-bpe)](+) cation Dattelbaum DM, Itokazu MK, Iha NYM, Meyer TJ
4096 - 4102	The reaction of dimethylsilylene with carbon tetrachloride in solution studied by means of spin chemistry and laser pulse photolysis methods Taraban MB, Volkova OS, Plyusnin VF, Kruppa AO, Leshina TV, Egorov MP, Nefedov OM
4103 - 4115	Common precursor mechanism for the heterogeneous reaction of D2O, HCl, HBr, and HOBr with water ice in the range 170-230 K: Mass accommodation coefficients on ice Fluckiger B, Rossi MJ
4116 - 4121	Addition reactions of silylenoids H2SiLiX (X = F, Cl) to acetylene Feng SY, Zhou WF, Feng DC
4122 - 4129	Density functional investigation of hydrated V(II) and V(III) ions: Influence of the second coordination sphere; Water exchange mechanism Benmelouka M, Messaoudi S, Furet E, Gautier R, Le Fur E, Pivan JY
4130 - 4135	Effects of substituents on arsenic-tin triple bonds: A theoretical study Hu YH, Su MD
4136 - 4140	Interaction of Y, Y-2, Mo, and Mo-2 with NH3. A density functional study Martinez A, Simard B
4141 - 4146	A wavefunction-based criterion for the detection of intermolecular interactions in molecular dynamics simulations Reiher M, Kirchner B
4147 - 4150	Fe-57 Mossbauer quadrupole splittings and isomer shifts in spin-crossover complexes: A density functional theory investigation Zhang Y, Oldfield E
4151 - 4156	A quantum mechanical study on the electrostratic interactions of poly(L-lysine)center dot alkyl sulfate complexes Aleman C, Zanuy D, Casanovas J
4157 - 4164	Density analysis of intermolecular orbital-interaction effects on the second hyperpolarizabilities of pi-pi stacking dimers Nakano M, Yamada S, Takahata M, Yamaguchi K
4165 - 4171	Infrared spectra of nickel octaethylporphyrin and its isotopomers computed via density functional theory-scaled quantum mechanical (DFT-SQM) method Stoll LK, Zgierski MZ, Kozlowski PM
4172 - 4183	Electronic and vibrational polarizabilities and hyperpolarizabilities of azoles: A comparative study of the structure-polarization relationship Jug K, Chiodo S, Calaminici P, Avramopoulos A, Papadopoulos MG
4184 - 4195	Ionization potential, electron affinity, electronegativity, hardness, and electron excitation energy: Molecular properties from density functional theory orbital energies Zhan CG, Nichols JA, Dixon DA
4196 - 4202	Significant low-order effects in the onset of protonation and related interactions Dykstra CE