Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.42 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (39 articles)

9379 - 9383	Quantum effects in an exoergic, barrierless reaction at high collision energies Martinazzo R, Tantardini GF
9384 - 9387	On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases Zgierski MZ, Patchkovskii S, Fujiwara T, Lim EC
9388 - 9392	Physical properties and intermolecular dynamics of an ionic liquid compared with its isoelectronic neutral binary solution Shirota H, Castner EW
9393 - 9401	Hydrated electron yields in the heavy ion Radiolysis of water LaVerne JA, Stefanic I, Pimblottt SM
9402 - 9413	Low-temperature rotational relaxation of CO in self-collisions and in collisions with Ne and He Amaral GA, Aoiz FJ, Banares L, Barr J, Herrero VJ, Martinez-Haya B, Menendez M, Pino GA, Tanarro I, Torres I, Verdasco JE
9414 - 9418	Effects of polarization of 1.4 mu m femtosecond laser pulses on the formation and fragmentation of naphthalene molecular ions compared at the same effective ionization intensity Yatsuhashi T, Nakashima N
9419 - 9423	Ab initio molecular dynamics simulations of an excited state of X-(H2O)(3) (X = Cl, I) complex Kolaski M, Lee HM, Pak C, Dupuis A, Kim KS
9424 - 9436	Electric field fluctuations drive vibrational dephasing in water Eaves JD, Tokmakoff A, Geissler PL
9437 - 9442	Ring closure dynamics of BTE-based photochromic switches: Perfluoro-versus perhydrocyclopentene derivatives Hania PR, Pugzlys A, Lucas LN, de Jong JJD, Feringa BL, van Esch JH, Jonkman HT, Duppen K
9443 - 9455	Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen Kaletas BK, Joshi HC, van der Zwan G, Fanti M, Zerbetto F, Goubitz K, De Cola L, Konig B, Williams RA
9456 - 9464	Rotationally resolved electronic spectra of 1,2-dimethoxybenzene and the 1,2-dimethoxybenzene-water complex Yi JT, Ribblett JW, Pratt DW
9465 - 9470	Photoinduced ethane formation from reaction of ethene with matrix-isolated Ti, V, or Nb atoms Thompson MGK, Parnis JM
9471 - 9480	Electronic and infrared spectroscopy of [benzene-(methanol)(n)](+)(n=1-6) Enomoto S, Miyazaki M, Fujii A, Mikami N
9481 - 9487	Site-specific H/D exchange of p-methoxyphenol studied by resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy Yuan LW, Li C, Tzeng WB
9488 - 9493	Structural and conformational properties of 1,1,1-trifluoro-2-propanol investigated by microwave spectroscopy and quantum chemical calculations Mollendal H
9494 - 9498	Transition state spectroscopy of the photoinduced CA+CH3F reaction. 1. A cluster isolated chemical reaction study Gaveau MA, Gloaguen E, Fournier PR, Mestdagh JM
9499 - 9506	Observation of the pi center dot center dot center dot H hydrogen-bonded ternary complex, (C2H4)(2)H2O, using matrix isolation infrared spectroscopy Thompson MGK, Lewars EG, Parnis JM
9507 - 9513	Interplay of one-and two-step channels in electrovibrational two-photon absorption Polyutov S, Minkov I, Gel'mukhanov F, Agren H
9514 - 9520	Matrix isolation infrared spectroscopic and theoretical studies on the reactions of niobium and tantalum mono-and dioxides with methane Wang G, Lai S, Chen M, Zhou MF
9521 - 9527	Experimental strategy for characterization of essential dynamical variables in oscillatory systems: Effect of double-layer capacitance on the stability of electrochemical oscillators Kiss IZ, Kazsu Z, Gaspar V
9528 - 9535	Radiolytic transformations of chlorinated phenols and chlorinated phenoxyacetic acids Peller J, Kamat PV
9536 - 9541	Simple ethers as models of sugar molecules in calculations of vertical excitation energies of DNA and RNA nucleosides Alavi S
9542 - 9553	Activation energies of pericyclic reactions: Performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions Ess DH, Houk KN
9554 - 9562	The hydrogen bonding properties of cytosine: A computational study of cytosine complexed with hydrogen fluoride, water, and ammonia Hunter KC, Rutledge LR, Wetmore SD
9563 - 9572	Water clusters on graphite: Methodology for quantum chemical A priori prediction of reaction rate constants Xu S, Irle S, Musaev AG, Lin MC
9573 - 9577	Chiral discrimination in lithium complexes of bis(5H-pyrroles) and bis(oxazolines) Alkorta M, Picazo O, Elguero J
9578 - 9583	A simplified eigenvector-following technique for locating transition points in an energy landscape Mauro JC, Loucks RJ, Balakrishnan J
9584 - 9589	Competition between van der Waals and hydrogen bonding interactions: Structure of the trans-1-naphthol/N-2 cluster Xantheas SS, Roth W, Fischer I
9590 - 9597	Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability Chattaraj PK, Roy DR, Elango M, Subramanian V
9598 - 9604	Solvent effects on peroxynitrite structure and properties from QM/MM simulations Lebrero MCG, Perissinotti LL, Estrin DA
9605 - 9616	Spectroscopic and theoretical evidence for the elusive intermediate of the photoinitiated and thermal rearrangements of photochromic spiropyrans Minkin VI, Metelitsa AV, Dorogan IV, Lukyanov BS, Besugliy SO, Micheau JC
9617 - 9626	Rules for generating conformers and their relative energies in n-alkanes with a heteroelement O or S: Ethers and alcohols, or sulfides and thiols Vansteenkiste P, Pauwels E, Van Speybroeck V, Waroquier M
9627 - 9636	Theoretical study on the small clusters of LiH, NaH, BeH2, and MgH2 Chen YL, Huang CH, Hu WP
9637 - 9645	Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)(5)L complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF(3), BPE, BPEBF3) Bruschi M, Fantucci P, Pizzotti M
9646 - 9652	1,4-vs 1,3-prototropic mechanism for intramolecular double proton transfer reaction in monothiooxalic acid. Theoretical investigation of potential energy surface Raynaud C, Daudey JP, Maron L, Jolibois F
9653 - 9673	A theoretical study of the mechanism of the water-catalyzed HCl elimination reactions of CHXCl(OH) (X = H, Cl) and HClCO in the gas phase and in aqueous solution Phillips DL, Zhao CY, Wang DQ
9674 - 9684	Testing the three step excited state proton transfer model by the effect of an excess proton Gepshtein R, Leiderman P, Genosar L, Huppert D
9685 - 9699	Oxidative addition of the fluoromethane C-F bond to Pd. An ab initio benchmark and DFT validation study de Jong GT, Bickelhaupt FM
9700 - 9708	Energetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid Pinto SS, Diogo HP, Guedes RC, Cabral BJC, da Piedade MEM, Simoes JAM