Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.28 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

7431 - 7444	Definition of Molecular Structure: By Choice or by Appeal to Observation? Bader RFW
7445 - 7452	Formation and Fragmentation of Quadruply Charged Molecular Ions by Intense Femtosecond Laser Pulses Yatsuhashi T, Nakashima N
7453 - 7456	Intramolecular pi-Type Hydrogen Bonding and Conformations of 3-Cyclopenten-1-ol. 1. Theoretical Calculations Al-Saadi AA, Ocola EJ, Laane J
7457 - 7461	Intramolecular pi-Type Hydrogen Bonding and Conformations of 3-Cyclopenten-1-ol. 2. Infrared and Raman Spectral Studies at High Temperatures Ocola EJ, Al-Saadi AA, Mlynek C, Hopf H, Laane J
7462 - 7469	Dynamic NMR Study of the Kinetics of Complexation of TI+ Ion with Calix[4]crown-6 Haddadi H, Alizadeh N, Shamsipur M, Asfari Z
7470 - 7478	Absorption Spectrum, Mass Spectrometric Properties, and Electronic Structure of 1,2-Benzoquinone Albarran G, Boggess W, Rassolov V, Schuler RH
7479 - 7484	Neutron and beta/gamma Radiolysis of Water up to Supercritical Conditions. 2. SF6 as a Scavenger for Hydrated Electron Haygarth K, Bartels DM
7485 - 7493	Stoichiometry, Vibrational Modes, and Structure of Niobium(V) Oxosulfato Complexes in the Molten Nb2O5-K2S2O7-K2SO4 System Studied by Raman Spectroscopy Paulsen AL, Borup F, Berg RW, Boghosian S
7494 - 7499	Theoretical Sensitivity of the C(P-3) + OH(X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) Rate Constant: The Role of the Long-Range Potential Jorfi M, Bussery-Honvault B, Honvault P, Stoecklin T, Larregaray P, Halvick P
7500 - 7505	ENDOR Study on the Dynamic Properties of the First Stable Paramagnetic Center in gamma-Irradiated L-Alanine Crystals Rakvin B, Maltar-Strmecki N, Kattnig D, Grampp G
7506 - 7508	Reexamination of the Quenching of NO+ Vibrations by O-2(a (1)Delta(g)) Eyet N, Viggiano AA
7509 - 7515	Ozonolysis of Cyclic Alkenes as Surrogates for Biogenic Terpenes: Primary Ozonide Formation and Decomposition Epstein SA, Donahue NM
7516 - 7524	Heterogeneous Reaction of NO2 on Fresh and Coated Soot Surfaces Khalizov AF, Cruz-Quinones M, Zhang RY
7525 - 7536	Mechanism and Branching Ratios of Hydroxy Ethers + (OH)-O-center dot Gas phase Reactions: Relevance of H Bond Interactions Galano A, Alvarez-Idaboy JR, Francisco-Marquez M
7537 - 7543	Structure and Conformational Stability of Protonated Dialanine Sohn WY, Lee JS
7544 - 7552	Calculated Spectroscopy and Atmospheric Photodissociation of Phosphoric Acid Yekutiel M, Lane JR, Gupta P, Kjaergaard HG
7553 - 7560	Extraction of Magnetic Coupling Parameters in 2-Dimensional Magnetic Honeycomb Layers Negodaev I, de Graaf C, Caballol R
7561 - 7570	Hydrolysis of TiCl4: Initial Steps in the Production of TiO2 Wang TH, Navarrete-Lopez AM, Li SG, Dixon DA, Gole JL
7571 - 7582	Electron Affinities, Fluoride Affinities, and Heats of Formation of the Second Row Transition Metal Hexafluorides: MF6 (M = Mo, Tc, Ru, Rh, Pd, Ag) Craciun R, Long RT, Dixon DA, Christe KO
7583 - 7589	Investigation of Conformation-Dependent Properties of L-Phenylalanine in Neutral and Radical Cations by Using a Density Functional Taking into Account Noncovalent Interactions Baek KY, Hayashi M, Fujimura Y, Lin SH, Kim SK
7590 - 7594	Novel Pathways for Enhancing Nonlinearity of Organics Utilizing Metal Clusters Rinkevicius Z, Autschbach J, Baev A, Swihart M, Agren H, Prasad PN
7595 - 7603	Structures, Stability, Vibration Entropy and IR Spectra of Hydrated Calcium Ion Clusters [Ca(H2O)(n)](2+) (n=1-20, 27): A Systematic Investigation by Density Functional Theory Lei XL, Pan BC
7604 - 7608	Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities Mulder RJ, Guerra CF, Bickelhaupt FM
7609 - 7615	The Aromatic 8-Electron Cubic Silicon Clusters Be@Si-8, B@Si-8(+) and C@Si-8(2+) Ngan VT, Nguyen MT
7616 - 7623	Subtle Trade-off Existing between (Anti)Aromaticity, Push-Pull Interaction, Keto-Enol Tautomerism, and Steric Hindrance When Defining the Electronic Properties of Conjugated Structures Kleinpeter E, Bolke U, Koch A
7624 - 7630	Anomeric Effects in Sulfonyl Compounds: An Experimental and Computational Study of Fluorosulfonyl Azide, FSO2N3, and Trifluoromethylsulfonyl Azide, CF3SO2N3 Zeng XQ, Gerken M, Beckers H, Willner H
7631 - 7641	Theoretical Study of M+-RG and M2+-RG Complexes and Transport of M+ through RG (M = Be and Mg, RG = He-Rn) Gardner AM, Withers CD, Graneek JB, Wright TG, Viehland LA, Breckenridge WH
7642 - 7651	Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide Hudecova J, Kapitan J, Baumruk V, Hammer RP, Keiderling TA, Bour P
7652 - 7652	Comment on "New Experimental Data and Mechanistic Studies on the Bromate-Dual Substrate-Dual Catalyst Batch Oscillator" Santos CMP, Faria RB