Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.20 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

4425 - 4427	What ion is generated when ionizing acetonitrile? de Petris G, Fornarini S, Crestoni ME, Troiani A, Mayer PM
4428 - 4430	Dialane anion: Three-center two-electron or two-center one-electron bonded Tian SX
4431 - 4436	Singlet excited-state dynamics of 5-fluorocytosine and cytosine: An experimental and computational study Blancafort L, Cohen B, Hare PM, Kohler B, Robb MA
4437 - 4441	Ab initio QM/MM simulation of Ag+ in 18.6% aqueous ammonia solution: Structure and dynamics investigations Armunanto R, Schwenk CF, Rode BM
4442 - 4451	Dynamics of chloromethanes in cryptophane-E inclusion complexes: A H-2 solid-state NMR and X-ray diffraction study Petrov O, Tosner Z, Csoregh I, Kowalewski J, Sandstrom D
4452 - 4458	Photoelectron imaging of hydrated carbon dioxide cluster anions Surber E, Mabbs R, Habteyes T, Sanov A
4459 - 4463	Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN Larsen RW, Hegelund F, Nelander B
4464 - 4473	Tautomerism of sterically hindered Schiff bases. Deuterium isotope effects on C-13 chemical shifts Filarowski A, Koll A, Rospenk M, Krol-Starzomska I, Hansen PE
4474 - 4483	Chemistry of styrene (water)(n) clusters, n=1-5: Spectroscopy and structure of the neutral clusters, deprotonation of styrene dimer cation, and implication to the inhibition of cationic polymerization Mahmoud H, Germanenko IN, Wright D, El-Shall MS
4484 - 4496	Isomer-specific spectroscopy and conformational isomerization energetics of o-, m-, and p-ethynylstyrenes Selby TM, Clarkson JR, Mitchell D, Fitzpatrick JAJ, Lee HD, Pratt DW, Zwier TS
4497 - 4504	Matrix isolation investigation of the photochemical reaction of benzene with CrCl2O2 and OVCl3 Hoops MD, Ault BS
4505 - 4511	Experimental and theoretical study of the vibrational spectra of free 12-crown-4 El-Azhary AA, Al-Kahtani AA
4512 - 4516	Electronic spectroscopy of C-2 in solid rare gas matrixes Fiedler SL, Vaskonen KJ, Eloranta JM, Kunttu HM
4517 - 4530	Products and mechanisms of the reaction of oleic acid with ozone and nitrate radical Hung HM, Katrib Y, Martin ST
4531 - 4539	Atmospheric pressure coated-wall flow-tube study of acetone adsorption on ice Bartels-Rausch T, Huthwelker T, Gaggeler HW, Ammann M
4540 - 4551	Unimolecular rate constants for HX or DX elimination (X = F, Cl) from chemically activated CF3CH2CH2Cl, C2H5CH2Cl, and C2D5CH2Cl: Threshold energies for HF and HCl elimination Ferguson JD, Johnson NL, Kekenes-Huskey PM, Everett WC, Heard GL, Setser DW, Holmes BE
4552 - 4561	Photolysis and OH-Initiated oxidation of glycolaldehyde under atmospheric conditions Magneron I, Mellouki A, Le Bras G, Moortgat GK, Horowitz A, Wirtz K
4562 - 4567	Dual control mechanism in a Belousov-Zhabotinskii (B-Z) oscillator with glucose and oxalic acid as a double substrate Rastogi RP, Chand P, Pandey MK, Das M
4568 - 4574	New type of bonding formed from an overlap between pi aromatic and pi* C=O molecular orbitals stabilizes the coexistence in one molecule of the ionic and neutral meso-ionic forms of imidazopyridine Hoffmann M, Plutecka A, Rychlewska U, Kucybala Z, Paczkowski J, Pyszka I
4575 - 4582	Optimization and application of lithium parameters for the reactive force field, ReaxFF Han SS, van Duin ACT, Goddard WA, Lee HM
4583 - 4590	Structures, energetics, and vibrational spectra of H2O2 center dot center dot center dot(H2O)(n), n=1-6 clusters: Ab initio quantum chemical investigations Kulkarni AD, Pathak RK, Bartolotti LJ
4591 - 4600	Electron attachment in Ice-HCl clusters: An ab initio study Li XF, Sanche L, Rauk A, Armstrong D
4601 - 4606	Are the local electrophilicity descriptors reliable indicators of global electrophilicity trends? Roy RK, Usha V, Paulovic J, Hirao K
4607 - 4610	On the use of ligand field parameters in the study of coordinated water molecules in Eu3+ complexes Albuquerque RQ, Freire RO, Malta OL
4611 - 4616	Calculations of vibrational energy levels by using a hybrid ab initio and DFT quartic force field: Application to acetonitrile Begue D, Carbonniere P, Pouchan C
4617 - 4622	Structure, stability, and NMR properties of lower fullerenes C-38-C-50 and azafullerene C44N6 Sun GY, Nicklaus MC, Xie RH
4623 - 4631	Impact of sulfur vs oxygen on the low-lying excited states of trans-p-coumaric acid and trans-p-coumaric thio acid Gromov EV, Burghardt I, Koppel H, Cederbaum LS
4632 - 4637	Structure and binding energy of anion-pi and cation-pi complexes: A comparison of MP2, RI-MP2, DFT, and DF-DFT methods Quinonero D, Garau C, Frontera A, Ballester P, Costa A, Deya PM
4638 - 4642	Combination of ultrasound and discarded tire rubber: Removal of Cr(III) from aqueous solution Entezari MH, Ghows N, Chamsaz M