Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.44 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

9911 - 9918	Spin dynamics of the radical pair in a low magnetic field studied by the transient absorption detected magnetic field effect on the reaction yield and switched external magnetic field Suzuki T, Miura T, Maeda K, Arai T
9919 - 9927	Anharmonic vibrational properties of explosives from temperature-dependent Raman McGrane SD, Barber J, Quenneville J
9928 - 9934	Studies on adsorption of 5-amino tetrazole on silver nanoparticies by SERS and DFT calculations Thomas S, Biswas N, Venkateswaran S, Kapoor S, Naumov S, Mukherjee T
9935 - 9944	Structural and vibrational properties of tetraoxaporphyrin dication, the oxygen analogue of porphyrin, and of isoelectronic diprotonated porphyrin Jelovica I, Moroni L, Gellini C, Salvi PR, Orlic N
9945 - 9952	Raman, surface enhanced Raman spectroscopy, and DFT calculations: A powerful approach for the identification and characterization of 5-fluorouracil anticarcinogenic drug species Pavel I, Cota S, Cinta-Pinzaru S, Kiefer W
9953 - 9963	Conformational analysis of 2,2'-bithiophene: A H-1 liquid crystal NMR study using the C-13 satellite spectra Concistre M, De Lorenzo L, De Luca G, Longeri M, Pileio G, Raos G
9964 - 9968	The Jahn-Teller effect in CH3CN+ ((XE)-E-2) and CD3CN+ ((XE)-E-2) studied by zero kinetic energy photoelectron spectroscopy Yang B, Zhou C, Mo YX
9969 - 9979	Site-site potentials in neopentane and tetramethylsilane Petryk MWP, Henry BR, Sage ML
9980 - 9985	Crystallization pathways of sulfate-nitrate-ammonium aerosol particles Schlenker JC, Martin ST
9986 - 9996	Kinetics of ClONO2 reactive uptake on ice surfaces at temperatures of the upper troposphere Fernandez MA, Hynes RG, Cox RA
9997 - 10003	Finite time thermodynamics: Limiting performance of diffusion engines and membrane systems Tsirlin AM, Leskov EE, Kazakov V
10004 - 10012	N2O5 reaction on submicron sea salt aerosol: Kinetics, products, and the effect of surface active organics Thornton JA, Abbatt JPD
10013 - 10021	Effects of substituents on the stability of phosphoranyl radicals Hodgson JL, Coote ML
10022 - 10027	Comparison of the electron localization function and deformation electron density maps for selected earth materials Gibbs GV, Cox DF, Ross NL, Crawford TD, Downs RT, Burt JB
10028 - 10037	Comparative study of the bonding in the first series of transition metal 1 : 1 complexes M-L (M = Sc, ..., Cu; L = CO, N-2, C2H2, CN-, NH3, H2O, and F-) Pilme J, Silvi B, Alikhani ME
10038 - 10043	Electron localization function as information measure Nalewajski RF, Koster AM, Escalante S
10044 - 10051	Computational and spectroscopic characterization of the molecular and electronic structure of the Pb(II)-quercetin complex Cornard JP, Dangleterre L, Lapouge C
10052 - 10057	Theoretical analyses of the effects on the linear and quadratic nonlinear optical properties of N-arylation of pyridinium groups in stilbazolium dyes Coe BJ, Beljonne D, Vogel H, Garin J, Orduna J
10058 - 10067	Excited-state behavior of trans and cis isomers of stilbene and stiff stilbene: A TD-DFT study Improta R, Santoro F
10068 - 10076	Empirical energy - Density relationships applied to the analysis of the basicity of strong organic superbases Chamorro E, Escobar CA, Sienra R, Perez P
10077 - 10083	Studies of neutral and ionic CuAr and CuKr van der Waals complexes Shen YH, BelBruno JJ
10084 - 10091	The pentacyanocyclopentadienyl system: Structures and energetics Lord RL, Wheeler SE, Schaefer HF
10092 - 10099	High-precision quantum thermochemistry on nonquasiharmonic potentials: Converged path-integral free energies and a systematically convergent family of generalized Pitzer-Gwinn approximations Lynch VA, Mielke SL, Truhlar DG
10100 - 10105	Assessing alkyl-, silyl-, and halo-substituent effects on the electron affinities of silyl radicals Larkin JD, Bock CW, Schaefer HF
10106 - 10120	Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilities Reis H, Grzybowski A, Papadopoulos MG
10121 - 10128	The relations of bond length and force constant with the potential acting on an electron in a molecule Zhao DX, Gong LD, Yang ZZ
10129 - 10137	Quantum-admixture model of high-spin <-> Low-spin transition for ferrous complex molecules Kuang XY, Zhou KW
10138 - 10147	Thermodynamic properties of molecular borane phosphines, alane amines, and phosphine alanes and the [BH4-][PH4+], [AIH(4)(-)][NH4+], and [AIH(4)(-)][PH4+] salts for chemical hydrogen storage systems from ab initio electronic structure theory Grant DJ, Dixon DA
10148 - 10152	A multireference coupled-cluster potential energy surface of diazomethane, CH2N2 Kerkines ISK, Carsky P, Mavridis A
10153 - 10167	Detailed TIMS study of Ar/C2H2 expanding thermal plasma: identification of a-C : H film growth precursors Benedikt J, Schram DC, van de Sanden MCM
10168 - 10175	Selective oxygenation of 4,4'-dimethylbiphenyl with molecular oxygen, catalyzed by 9-phenyl-10-methylacridinium ion via photoinduced electron transfer Suga K, Ohkubo K, Fukuzumi S
10176 - 10176	Chemical kinetic approach to the mechanism of coupled transport of Cu(II) ions through bulk liquid membranes (vol 103, pg 1553, 1999) Szpakowksa M, Nagy OB, Matefy-Tempfli S