Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.14 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

2999 - 3001	Two-dimensional coherent double resonance electronic spectroscopy Chen PC, Gomes M
3002 - 3009	Quantum mechanical calculations for the H2O+h nu -> O(D-1)+H-2 photodissociation process van Harrevelt R, van Hemert MC
3010 - 3019	C-C versus C-H bond activation of alkynes by early second-row transition metal atoms Hinrichs RZ, Schroden JJ, Davis HF
3020 - 3030	Matrix isolation infrared observation of HxSi(N-2)(y) (x=0, 1, 2 and y=1, 2) transient species using a 121-nm vacuum ultraviolet photolysis source Amicangelo JC, Dine CT, Irwin DG, Lee CJ, Romano NC, Saxton NL
3031 - 3035	Kinetics and mechanism of proton transfer between disubstituted benzoic acids and carbinol base of crystal violet in chlorobenzene Gupta SKS, Shrivastava R
3036 - 3039	Inhomogeneous broadening, luminescence origin and optical amplification in bismuth-doped glass Ren JJ, Dong GP, Xu SQ, Bao RQ, Qiu JR
3040 - 3045	Temperature dependences for the reactions of O- and O-2(-) with O-2(a(1)Delta(g)) from 200 to 700 K Midey A, Dotan I, Viggiano AA
3046 - 3052	The relationship between Pb-207 NMR chemical shift and solid-state structure in Pb(II) compounds Dmitrenko O, Bai S, Beckmann PA, van Bramer S, Vega AJ, Dybowski C
3053 - 3060	A microwave spectroscopic and quantum chemical study of 3-butyne-1-selenol (HSeCH2CH2C CH) Mollendal H, Mokso R, Guillemin JC
3061 - 3065	Electronic structure of substituted benzoquinones and quinonechloroimides Novak I, Kovac B
3066 - 3078	Photoacid-base reaction in ice via a mobile L-defect Uritski A, Huppert D
3079 - 3085	Effects of ionic liquid [bmim][PF6] on absorption spectra and reaction kinetics of the duroquinone triplet state in acetonitrile Zhu G, Wu G, Sha M, Long D, Yao S
3086 - 3093	Competing channels in the thermal decomposition of azidoacetone studied by pyrolysis in combination with molecular beam mass spectrometric techniques O'Keeffe P, Scotti G, Stranges D, Rodrigues P, Barros MT, Costa ML
3094 - 3103	Molecular self-assembly inhibition leads to basket-shaped cyclophane formation with chiral dynamics Wang W, Bain AD, Wang LQ, Exarhos GJ, Li ADQ
3104 - 3113	Reactive uptake of NO3, N2O5, NO2, HNO3, and O-3 on three types of polycyclic aromatic hydrocarbon surfaces Gross S, Bertram AK
3114 - 3118	Dissolution of solid NaCl nanoparticles embedded in supersaturated water vapor probed by molecular dynamic Simulations Zasetsky AY, Sloan JJ, Svishchev IM
3119 - 3126	AIM analysis of intramolecular hydrogen bonding in o-hydroxy aryl Schiff bases Filarowski A, Majerz I
3127 - 3132	Ab initio study of the interaction of CHX3 (X = H, F, Cl, or Br) with benzene and hexafluorobenzene Keefe CD, Isenor M
3133 - 3140	ReaxFF reactive force field for solid oxide fuel cell systems with application to oxygen ion transport in yttria-stabilized zirconia van Duin ACT, Merinov BV, Jang SS, Goddard WA
3141 - 3144	Competition among fcc-like, double-layered flat, tubular cage, and close-packed structural motifs for medium-sized Au-n (n=21-28) clusters Tian D, Zhao J
3145 - 3156	Bond dissociation energies in second-row compounds Grant DJ, Matus MH, Switzer JR, Dixon DA, Francisco JS, Christe KO
3157 - 3164	Theoretical study on photophysical properties of bis-dipolar diphenylamino-endcapped oligoarylfluorenes as light-emitting materials Liu YL, Feng JK, Ren AM
3165 - 3171	Electronic nature of carbonium ions and their silicon analogues Firme CL, Antunes OAC, Esteves PM
3172 - 3185	Thermochemistry of methyl and ethyl nitro, RNO2, and nitrite, RONO, organic compounds Asatryan R, Bozzelli JW, Simmie JM
3186 - 3191	Theoretical studies on the magnetic bistability of dinickel complex tuned by azide Bian JG, Chang YF, Zhang JP
3192 - 3200	Theoretical comparison of ketene dimerization in the gas and liquid phase Morales G, Martinez R, Ziegler T
3201 - 3208	Thermochemistry and gas-phase ion energetics of 2-hydroxy-4-methoxy-benzophenone (oxybenzone) Lago AF, Jimenez P, Herrero R, Davalos JZ, Abboud JLM
3209 - 3214	Tautomeric properties and gas-phase structure of 3-chloro-2,4-pentanedione Belova NV, Oberhammer H, Girichev GV, Shlykov SA
3215 - 3223	Resonance Raman scattering of rhodamine 6G as calculated by time-dependent density functional theory: Vibronic and solvent effects Guthmuller J, Champagne B
3224 - 3230	Geometries, stabilities, and vibrational properties of bimetallic Mo-2-doped Ge-n (n=9-15) clusters: A density functional investigation Wang J, Han JG
3231 - 3238	Theoretical studies of the tautomers of pyridinethiones Zhang YA, Monga V, Orvig C, Wang YA
3239 - 3247	Theoretical study of hydrogen abstraction and sulfur insertion in the reaction H2S+S Zhou C, Sendt K, Haynes BS
3248 - 3252	Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Li2OH and Li2OH+ Gertych A, Koput J
3253 - 3259	Use of effective core potential calculations for the conformational and vibrational study of platinum(II) anticancer drugs. cis-diamminedichloroplatinum(II) as a case study Fiuza SM, Amado AM, Marques MP, de Carvalho LA
3260 - 3274	On the spectacular structural isomorphism between CnHs monoradical and Cn+sHs+3 diradical benzenoid hydrocarbons: From reactive intermediates to vacancy (hole) defects in graphite Dias JR
3275 - 3280	Low-lying Rydberg states of HCI Pitarch-Ruiz J, de Meras AS, Sanchez-Marin J, Velasco AM, Lavin C, Martin I