Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (37 articles)

12749 - 12753	Optimizing Conical Intersections by Spin-Flip Density Functional Theory: Application to Ethylene Minezawa N, Gordon MS
12754 - 12762	Photophysical Properties and Singlet Oxygen Production by Ruthenium(II) Complexes of Benzo[i]dipyrido[3,2-a:2',3'-c]phenazine: Spectroscopic and TD-DFT Study Foxon SP, Alamiry MAH, Walker MG, Meijer AJHM, Sazanovich IV, Weinstein JA, Thomas JA
12763 - 12773	Nature of the N-H center dot center dot center dot S Hydrogen Bond Biswal HS, Wategaonkar S
12774 - 12782	Sulfur, Not Too Far Behind O, N, and C: SH center dot center dot center dot pi Hydrogen Bond Biswal HS, Wategaonkar S
12783 - 12790	Chemical Equilibrium Probed by Two-Dimensional IR Spectroscopy: Hydrogen Bond Dynamics of Methyl Acetate in Water Candelaresi M, Pagliai M, Lima M, Righini R
12791 - 12804	Metal Speciation Dynamics in Dispersions of Soft Colloidal Ligand Particles under Steady-State Laminar Flow Condition Duval JFL, Qian S
12805 - 12814	Structure of Large Nitrate-Water Clusters at Ambient Temperatures: Simulations with Effective Fragment Potentials and Force Fields with Implications for Atmospheric Chemistry Miller Y, Thomas JL, Kemp DD, Finlayson-Pitts BJ, Gordon MS, Tobias DJ, Gerber RB
12815 - 12824	Ab Initio Multiple Spawning Dynamics of Excited Butadiene: Role of Charge Transfer Levine BG, Martinez TJ
12825 - 12830	Theoretical Study on the Predissociation Mechanism of CO2+ (C (2)Sigma(+)(g)) Meng QY, Huang MB, Chang HB
12831 - 12837	Steady-State, One-, and Two-Color Laser Flash Photolysis Studies of alpha-Bond Cleavage of S-Acyl-4-phenylthiophenols in Solution Yamaji M, Kazmierczak F, Marciniak B
12838 - 12846	Vibrational Dynamics of LiBH4 by Infrared Pump-Probe and 2D Spectroscopy Andresen ER, Gremaud R, Borgschulte A, Ramirez-Cuesta AJ, Zuttel A, Hamm P
12847 - 12856	Vibrationally Resolved Absorption and Emission Spectra of Rubrene Multichromophores: Temperature and Aggregation Effects Gao F, Liang WZ, Zhao Y
12857 - 12863	Gas-Phase Infrared Spectra of Vinyl Selenol and Vinyl Tellurol Benidar A, Khater B, Guillemin JC, Gamez JA, Yanez M
12864 - 12878	Indirect Detection via Spin-1/2 Nuclei in Solid State NMR Spectroscopy: Application to the Observation of Proximities between Protons and Quadrupolar Nuclei Lafon O, Wang Q, Hu BW, Vasconcelos F, Trebosc J, Cristol S, Deng F, Amoureux JP
12879 - 12884	Kinetic Features of Metal Complexes with Polysaccharide Colloids: Impact of Ionic Strength Rotureau E, van Leeuwen HP
12885 - 12890	Effect of Different Alkyl Groups at the N-Position on the Luminescence of Carbazole-Based beta-Diketonate Europium(III) Complexes He P, Wang HH, Liu SG, Shi JX, Wang G, Gong ML
12891 - 12897	Spectroscopic Investigations of Core-Based, Randomly Hyperbranched Polymers and Comparison with their Dendrimeric Counterparts Kline KK, Tucker SA
12898 - 12903	Generalized Indirect Covariance NMR Formalism for Establishment of Multidimensional Spin Correlations Snyder DA, Bruschweiler R
12904 - 12910	Synthesis and Microwave Spectrum of (2-Chloroethyl)phosphine (ClCH2CH2PH2) Mollendal H, Konovalov A, Guillemin JC
12911 - 12918	Distinguishing Tunneling Pathways for Two Chiral Conformer Pairs of 1,3-Propanediol from the Microwave Spectrum Plusquellic DF, Lovas FJ, Pate BH, Neill JL, Muckle MT, Remijan AJ
12919 - 12925	Hydrogen Peroxide Decomposition Rate: A Shock Tube Study Using Tunable Laser Absorption of H2O near 2.5 mu m Hong ZK, Farooq A, Barbour EA, Davidson DF, Hanson RK
12926 - 12931	Infrared Spectra of the Chloromethyl and Bromomethyl Cations in Solid Argon Ma RH, Chen MH, Zhou MF
12932 - 12941	Ab Initio and RRKM Study of the Reaction of ClO with HOCO Radicals Yu HG, Francisco JS
12942 - 12951	A Kinetic Study of the Reaction of OH with Xylenes Using the Relative Rate/Discharge Flow/Mass Spectrometry Technique Mehta D, Nguyen A, Montenegro A, Li ZJ
12952 - 12960	Study of the Isomers of Isoelectronic C-4, (C3B)(-), and (C3N)(+): Rearrangements through Cyclic Isomers Wang TF, Buntine MA, Bowie JH
12961 - 12971	A Theoretical Investigation on the Kinetics and Mechanism of the Reaction of Amidogen with Hydroxyl Radical Mousavipour SH, Pirhadi F, HabibAgahi A
12972 - 12978	Gas-Phase Bronsted Superacidity of Some Derivatives of Monocarba-closo-Borates: a Computational Study Lipping L, Leito I, Koppel I, Koppel IA
12979 - 12987	Quantum Chemical Calculation of Type-1 Cu Reduction Potential: Ligand Interaction and Solvation Effect Si DJ, Li H
12988 - 12994	Energetic Studies and Phase Diagram of Thioxanthene Freitas VLS, Monte MJS, Santos LMNBF, Gomes JRB, da Silva MDMCR
12995 - 13003	Structural and Electronic Properties of Amino Acid Based Ionic Liquids: A Theoretical Study Wu Y, Zhang T
13004 - 13012	Spectral Properties of Spirooxazine Photochromes: TD-DFT Insights Perrier A, Maurel F, Perpete EA, Wathelet V, Jacquemin D
13013 - 13022	Examination of Phencyclidine Hydrochloride via Cryogenic Terahertz Spectroscopy, Solid-State Density Functional Theory, and X-ray Diffraction Hakey PM, Hudson MR, Allis DG, Ouellette W, Korter TM
13023 - 13028	Calculation of the Redox Properties of Aromatics and Prediction of Their Coupling Mechanism and Oligomer Redox Properties Henry JB, Mount AR
13029 - 13035	Conformational and Structural Determination of F2NC(O)F and F2NC(O)NCO. A Joint Experimental and Theoretical Study Erben MF, Padro JM, Willner H, Della Vedova CO
13036 - 13040	Acid Dissociation Constants of Melamine Derivatives from Density Functional Theory Calculations Jang YH, Hwang S, Chang SB, Ku J, Chung DS
13041 - 13041	Theoretical Investigation of the Reaction between Carbonyl Oxides and Ammonia (vol 113, pg 10284, 2009) Jorgensen S, Gross A
13042 - 13042	Coherent Multidimensional Vibrational Spectroscopy of Representative N-Alkanes (vol 113, pg 9792, 2009) Mathew NA, Rickard MA, Kornau KM, Pakoulev AV, Block SB, Yurs LA, Wright JC