Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

5527 - 5536	Vibrational energy relaxation rates via the linearized semiclassical approximation: Applications to neat diatomic liquids and atomic-diatomic liquid mixtures Ka BJ, Shi Q, Geva E
5537 - 5544	Vibrational relaxation of molecular ions at low temperatures: O-2(-)(nu=1)+Ar Shin HK
5545 - 5552	An empirical potential energy surface for the He-Br-2 ((BIIu)-I-3) van der waals complex Garcia-Vela A
5553 - 5559	Electronic absorption spectra of C3Cl, C4Cl, and their ions in neon matrices van Wijngaarden J, Shnitko I, Batalov A, Kolek P, Fulara J, Maier JP
5560 - 5570	Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in the low temperature amorphous phase Lopes S, Gomez-Zavaglia A, Lapinski L, Fausto R
5571 - 5578	Near-infrared fluorescent probes: Synthesis and spectroscopic investigations of a few amphiphilic squaraine dyes Arun KT, Ramaiah D
5579 - 5589	Reactive uptake of O-3 by multicomponent and multiphase mixtures containing oleic acid Knopf DA, Anthony LM, Bertram AK
5590 - 5595	Absolute calculations of acidity of C-substituted tetrazoles in solution Murlowska K, Sadlej-Sosnowska N
5596 - 5601	Zero point energy of polyhedral water clusters Anick DJ
5602 - 5607	Substituent effects Chattaraj PK, Gonzalez-Rivas N, Matus MH, Galvan M
5608 - 5618	Limitations of the molecular multipole expansion treatment of electrostatic interactions for C-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds and application of a general charge density approach Qian WL, Krimm S
5619 - 5624	Theoretical study on structures and stability of Si2CP isomers Chen GH, Ding YH, Huang XR, Sun CC
5625 - 5635	Thiolysis and alcoholysis of phosphate tri- and monoesters with alkyl and aryl leaving groups. An ab initio study in the gas phase Arantes GM, Chaimovich H
5636 - 5644	A DFT study of the pericyclic/pseudopericyclic character of cycloaddition reactions of ethylene and formaldehyde to buta-1,3-dien-1-one and derivatives Cabaleiro-Lago EM, Rodriguez-Otero J, Gonzalez-Lopez I, Pena-Gallego A, Hermida-Ramon JM
5645 - 5655	Theoretical study on structures and aromaticities of P-5(-) anion, [Ti(eta(5)-P-5)](-) and sandwich complex [Ti(eta(5)-P-5)(2)](2-) Liu ZZ, Tian WQ, Feng JK, Zhang G, Li WQ
5656 - 5667	Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions Zhao Y, Truhlar DG
5668 - 5676	Coordination properties of the oxime analogue of glycine to Cu(II) Georgieva I, Trendafilova N, Rodriguez-Santiago L, Sodupe M
5677 - 5682	Photodegradation of substituted stilbene compounds: What colors aging paper yellow? Durbeej B, Eriksson LA
5683 - 5688	C-(HN)-N-... and C-(HS)-S-... hydrogen bonds - Influence of hybridization on their strength Domagala M, Grabowski SJ
5689 - 5707	Preferred conformers and photochemical (lambda > 200 nm) reactivity of serine and 3,3-dideutero-serine in the neutral form Jarmelo S, Lapinski L, Nowak MJ, Carey PR, Fausto R
5708 - 5716	The chiral molecule CHClFI: First determination of its molecular parameters by Fourier transform microwave and millimeter-wave spectroscopies supplemented by ab initio calculations Cuisset A, Moreno JRA, Huet TR, Petitprez D, Demaison J, Crassous J
5717 - 5723	Silicon monohydride clusters SinH (n=4-10) and their anions: Structures, thermochemistry, and electron affinities Yang JC, Bai X, Li CP, Xu WG
5724 - 5733	Inelastic neutron scattering spectra of free base and zinc porphines: A comparison with DFT-based vibrational analysis Verdal N, Kozlowski PM, Hudson BS
5734 - 5741	Second-order Moller-Plesset evaluation of the bond length alternation of several series of linear oligomers Jacquemin D, Femenias A, Chermette H, Andre JM, Perpete EA
5742 - 5753	Global mapping of equilibrium and transition structures on potential energy surfaces by the scaled hypersphere search method: Applications to ab initio surfaces of formaldehyde and propyne molecules Maeda S, Ohno K
5754 - 5769	Electron trapping by polar molecules in alkane liquids: Cluster chemistry in dilute solution Shkrob IA, Sauer MC
5770 - 5776	Symmetry-broken reactant motion upon phase-related symmetrically modulated excitations: Application to highly selective molecular sorting Lemarchand A, Jullien L