Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.21 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

5019 - 5025	Investigation of Spin-Flip Reactions of Zr + CH3CN by Relativistic Density Functional Theory Li Q, Chen XY, Qiu YX, Wang SG
5026 - 5029	Dynamics of the O(P-3) + CH4 -> OH + CH3 Reaction Is Similar To That of a Triatomic Reaction Martinez R, Enriquez PA, Puyuelo MP, Gonzalez M
5030 - 5038	Triplet Excimers of Fluoroquinolones in Aqueous Media Cuquerella MC, Andreu I, Soldevila S, Bosca F
5039 - 5044	Photodissociation Dynamics of Gaseous CpCo(CO)(2) and Ligand Exchange Reactions of CpCoH2 with C3H4, C3H6, and NH3 Oana M, Nakatsuka Y, Albert DR, Davis HF
5045 - 5056	Gas-Phase Kinetics Study of Reaction of OH Radical with CH3NHNH2 by Second-Order Multireference Perturbation Theory Sun HY, Zhang P, Law CK
5057 - 5067	Quasi-Classical Trajectory Study of the HO+CO -> H+CO2 Reaction on a New ab Initio Based Potential Energy Surface Li J, Xie CJ, Ma JY, Wang YM, Dawes R, Xie DQ, Bowman JM, Guo H
5068 - 5089	High-Pressure Rate Rules for Alkyl + O-2 Reactions. 2. The Isomerization, Cyclic Ether Formation, and beta-Scission Reactions of Hydroperoxy Alkyl Radicals Villano SM, Huynh LK, Carstensen HH, Dean AM
5090 - 5099	Noise-Immune Cavity-Enhanced Optical Heterodyne Detection of HO2 in the Near-Infrared Range Bell CL, van Helden JPH, Blaikie TPJ, Hancock G, van Leeuwen NJ, Peverall R, Ritchie GAD
5100 - 5111	Detailed Product Analysis during Low- and Intermediate-Temperature Oxidation of Ethylcyclohexane Husson B, Herbinet O, Glaude PA, Ahmed SS, Battin-Leclerc F
5112 - 5118	Chiroptical Spectroscopy of Surfactants Polavarapu PL, Vijay R
5119 - 5128	Computational Studies of Nonstoichiometric Sodium Auride Clusters Lin YC, Sundholm D
5129 - 5138	Impact of Gd3+ on DNP of [1-C-13]Pyruvate Doped with Trityl OX063, BDPA, or 4-Oxo-TEMPO Lumata L, Merritt ME, Malloy CR, Sherry AD, Kovacs Z
5139 - 5144	Highly Fluorescent Slipped-Cofacial Phthalocyanine Dimer as a Shallow Inclusion Complex with alpha-Cyclodextrin Morisue M, Ueda S, Kurasawa M, Naito M, Kuroda Y
5145 - 5150	Time-Resolved Studies of Charge Recombination in the Pyrene/TCNQ Charge-Transfer Crystal: Evidence for Tunneling Dillon RJ, Bardeen CJ
5151 - 5163	Hydration of the Bisulfate Ion: Atmospheric Implications Husar DE, Temelso B, Ashworth AL, Shields GC
5164 - 5179	Atmospheric Chemistry of Ethyl Propionate Andersen VF, Ornso KB, Jorgensen S, Nielsen OJ, Johnson MS
5180 - 5192	Surface-Catalyzed Chlorine and Nitrogen Activation: Mechanisms for the Heterogeneous Formation of ClNO, NO, NO2, HONO, and N2O from HNO3 and HCl on Aluminum Oxide Particle Surfaces Rubasinghege G, Grassian VH
5193 - 5198	Solid-State C-13 NMR Investigations of Cyclophanes: [2.2] Paracyclophane and 1,8-Dioxa[8](2,7)pyrenophane Halling MD, Unikela KS, Bodwell GJ, Grant DM, Pugmire RJ
5199 - 5206	Competition and Interplay between sigma-Hole and pi-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia Solimannejad M, Ramezani V, Trujillo C, Alkorta I, Sanchez-Sanz G, Elguero J
5207 - 5215	Ligand Effects toward the Modulation of Magnetic Anisotropy and Design of Magnetic Systems with Desired Anisotropy Characteristics Goswami T, Misra A
5216 - 5226	Effect of pH on the Photophysical and Redox Properties of a Ruthenium(II) Mixed Chelate Derived from Imidazole-4,5-dicarboxylic Acid and 2,2'-Bipyridine: An Experimental and Theoretical Investigation Das S, Saha D, Karmakar S, Baitalik S
5227 - 5234	Endohedral Beryllium Atoms in Germanium Clusters with Eight and Fewer Vertices: How Small Can a Cluster Be and Still Encapsulate a Central Atom? Uta MM, King RB
5235 - 5239	Tetrahelix Conformations and Transformation Pathways in Pt1Pd12 Clusters Pacheco-Contreras R, Dessens-Felix M, Borbon-Gonzalez DJ, Paz-Borbon LO, Johnston RL, Schon JC, Posada-Amarillas A
5240 - 5246	Can QTAIM Topological Parameters Be a Measure of Hydrogen Bonding Strength? Mo YR
5247 - 5255	Insights into the Unusual Barrierless Reaction between Two Closed Shell Molecules, (CH3)(2)S+F-2, and Its H2S+F-2 Analogue: Role of Recoupled Pair Bonding Leiding J, Woon DE, Dunning TH
5256 - 5271	Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M4O10 and M4O10- (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations Li SG, Zhai HJ, Wang LS, Dixon DA
5272 - 5291	Rational Design of High-Spin Biradicaloids in the Isobenzofulvene and Isobenzoheptafulvene Series Snyder GJ