Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.19 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

4795 - 4797	Permanent chiral twisting of nonchiral carbon nanotubes Melle-Franco M, Prato M, Zerbetto F
4798 - 4807	Role of hydrogen-bonded intermediates in the bimolecular reactions of the hydroxyl radical Smith IWM, Ravishankara AR
4808 - 4814	Parameters influencing the on- and off-times in the fluorescence intensity traces of single cyanine dye molecules Kohn F, Hofkens J, Gronheid R, Van der Auweraer M, De Schryver FC
4815 - 4824	Direct determination of the S-1 excited-state energies of xanthophylls by low-temperature fluorescence spectroscopy Josue JS, Frank HA
4825 - 4832	A crossed beam and ab initio investigation of the reaction of hydrogen sulfide, H2S(X(1)A(1)), with dicarbon molecules, C-2(X-1 Sigma(+)(g)) Kaiser RI, Yamada M, Osamura Y
4833 - 4837	Ultrafast charge recombination of photogenerated ion pairs to an electronic excited state Morandeira A, Engeli L, Vauthey E
4838 - 4845	Spin-polarized nitroxide radicals in organic glasses Tarasov VF, Shkrob IA, Trifunac AD
4846 - 4854	EPR line shifts and line shape changes due to spin exchange of nitroxide free radicals in liquids 2. Extension to high spin exchange frequencies and inhomogeneously broadened spectra Bales BL, Peric M
4855 - 4867	Aerosol spectroscopy of dihydroxyacetone: Gas phase and nanoparticles Signorell R, Luckhaus D
4868 - 4871	Intense blue luminescence of 3,4,6-triphenyl-alpha-pyrone in the solid state and its electronic characterization Hirano K, Minakata S, Komatsu M, Mizuguchi J
4872 - 4879	Infrared characterization of the icosahedral shell closing in Cl-center dot H2O center dot Ar-n (1 <= n <= 13) clusters Corcelli SA, Kelley JA, Tully JC, Johnson MA
4880 - 4885	The raman, ultraviolet, and infrared spectra and the J(Si=C) NMR coupling constant of the stable silene (t-BuMe2Si)(Me3Si)Si=2-Ad. Manifestations of the Si=C double bond Bendikov M, Apeloig Y, Bukalov S, Garbuzova I, Leites L
4886 - 4890	LIF and IR dip spectra of jet-cooled p-aminophenol-M (M = CO, N-2): Hydrogen-bonded or van der Waals-bonded structure? Mori H, Kugisaki H, Inokuchi Y, Nishi N, Miyoshi E, Sakota K, Ohashi K, Sekiya H
4891 - 4896	Photoelectron spectroscopy of cobalt oxide cluster anions Pramann A, Koyasu K, Nakajima A, Kaya K
4897 - 4903	Experiments on flow-distributed oscillations in the Belousov-Zhabotinsky reaction Kaern M, Menzinger M
4904 - 4913	Solution of some one- and two-dimensional master equation models for thermal dissociation: The dissociation of methane in the low-pressure limit Miller JA, Klippenstein SJ, Raffy C
4914 - 4921	Quantum scattering calculations of the O(D-1)+N-2(X-1 Sigma(+)(g))-> O(P-3)+N-2(X-1 Sigma(+)(g)) spin-forbidden electronic quenching collision Takayanagi T
4922 - 4927	Reactions of silylene with unreactive molecules. I: Carbon dioxide; Gas-phase kinetic and theoretical studies Becerra R, Cannady JP, Walsh R
4928 - 4937	Effects of a paracyclophane linker on the charge-transfer transition of 4-(dimethylamino)-4'-nitrostilbene Moran AM, Bartholomew GP, Bazan GC, Kelley AM
4938 - 4941	Further theoretical evidence for the exceptionally strong ferromagnetic coupling in oxo-bridged Cu(II) dinuclear complexes Ruiz E, de Graaf C, Alemany P, Alvarez S
4942 - 4950	A computational and experimental study on the relative stabilities of cis and trans isomers of N-alkylamides in gas phase and in solution Martinez AG, Vilar ET, Fraile AG, Martinez-Ruiz P
4951 - 4956	Novel approach to the detection of triacetone triperoxide (TATP): Its structure and its complexes with ions Dubnikova F, Kosloff R, Zeiri Y, Karpas Z
4957 - 4960	Interpolated algorithm for large-curvature tunneling calculations of transmission coefficients for variational transition state theory calculations of reaction rates Fernandez-Ramos A, Truhlar DG, Corchado JC, Espinosa-Garcia J
4961 - 4969	Ferromagnetic bonding: Properties of high-spin lithium clusters Li-n+1(n) (n=2-12) devoid of electron pairs de Visser SP, Danovich D, Wu W, Shaik S
4970 - 4979	Bystander effects on carbene rearrangements: A computational study Hill BT, Zhu ZD, Boeder A, Hadad CM, Platz MS
4980 - 4987	Asymmetry in symmetric cycloadditions Yamabe S, Nishihara Y, Minato T
4988 - 4997	Quantum mechanics studies of the intrinsic conformation of trehalose French AD, Johnson GP, Kelterer AM, Dowd MK, Cramer CJ
4998 - 5004	Infrared matrix isolation and density functional theory study of intermediates in the reactions of OVCl3 and CrCl2O2 with H2O Subel BL, Kayser DA, Ault BS
5005 - 5010	The gas-phase acidities of substituted hydroxamic and silahydroxamic acids: A comparative ab initio study Remko M
5011 - 5021	Symmetry-forbidden vs symmetry-allowed electron and hole transfer in medium sized intramolecular organic donor-acceptor radical ions. A trajectory surface hopping study Jones GA, Paddon-Row MN, Carpenter BK, Piotrowiak P
5022 - 5030	Calculation of electronic g-tensors using a relativistic density functional Douglas-Kroll method Neyman KM, Ganyushin DI, Matveev AV, Nasluzov VA
5031 - 5040	The trimer structures of hydrazine Dyczmons V
5041 - 5042	Comment on "Identity hydrogen abstraction reactions, X-center dot+H-X'-> X-H+X'(center dot) (X = X' = CH3, SiH3, GeH3, SnH3, PbH3): A valence bond modeling Zavitsas AA
5043 - 5045	Reply to comment on "Identity hydrogen abstraction reactions, X-center dot+H-X'-> X-H+X'(center dot) (X = X' = CH3, SiH3, GeH3, SnH3, PbH3): A valence bond modeling Shaik S, de Visser SP, Wu W, Song LC, Hiberty PC
5046 - 5047	Comment on molecular mechanics for chemical reactions Florian J
5048 - 5050	Reply to comment on molecular mechanics for chemical reactions Truhlar DG