Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

7239 - 7255	Kinetics of the Reaction of OH with Isoprene over a Wide Range of Temperature and Pressure Including Direct Observation of Equilibrium with the OH Adducts Medeiros DJ, Blitz MA, James L, Speak TH, Seakins PW
7256 - 7266	Photophysical Heavy-Atom Effect in Iodinated Metallocorroles: Spin-Orbit Coupling and Density of States Pomarico E, Pospisil P, Bouduban MEF, Vestfrid J, Gross Z, Zalis S, Chergui M, Vlcek A
7267 - 7275	Continuum Microkinetic Rate Theory of Lattice Systems: Formalization, Current Limitations, and a Possible Basis for Continuum Rate Theory Francis MF
7276 - 7283	Triplet States of Tetrazoles, Nitrenes, and Carbenes from Matrix Photolysis of Tetrazoles, and Phenylcyanamide as a Source of Phenylnitrene Abe M, Begue D, Silva HS, Dargelos A, Wentrup C
7284 - 7292	Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings Daengngern R, Camacho C, Kungwan N, Irle S
7293 - 7300	Nitrile Vibration Reports Induced Electric Field and Delocalization of Electron in the Charge-Transfer State of Aryl Nitriles Mani T, Grills DC
7301 - 7311	Matrix Infrared Spectra and Theoretical Calculations of Fluoroboryl Complexes F2B-MF (M = C, Si, Ge, Sn and Pb) Xu B, Li L, Yu WJ, Huang TF, Wang XF
7312 - 7319	Theoretical Insights into the Interaction Mechanisms between Nitric Acid and Nitrous Oxide Initiated by an Excess Electron Zhao Y, Wang WH, Feng WL, Wang WL, Li P
7320 - 7327	The Role of Molybdenum Oxysulfide Rings in the Formation of Two-Dimensional Molybdenum Disulfide by Powder Vaporization Tsafack T, Bartolucci SF, Maurer JA
7328 - 7338	Oxidizing Metal Oxides with Polynuclear Superhalogen: An ab Initio Study Sikorska C
7339 - 7350	Luminescence of Atomic Barium in Rare Gas Matrices: A Two-Dimensional Excitation/Emission Spectroscopy Study Davis B, McCaffrey JG
7351 - 7377	Spectroscopic Study on the Intermediates and Reaction Rates in the Oxidation of Levitated Droplets of Energetic Ionic Liquids by Nitrogen Dioxide Brotton SJ, Lucas M, Jensen TN, Anderson SL, Kaiser RI
7378 - 7384	Combined Experimental and Theoretical Study on Circular Dichroism and Circularly Polarized Luminescence of Configurationally Robust D-3-Symmetric Triple Pentahelicene Tanaka H, Kato Y, Fujiki M, Inoue Y, Mori T
7385 - 7390	Microwave Spectra and Structure of Ar-1,3-Difluorobenzene Marshall FE, Dorris R, Peebles SA, Peebles RA, Grubbs GS
7391 - 7401	Noble Gas Inserted Metal Acetylides (Metal = Cu, Ag, Au) Jana G, Pan S, Merino G, Chattaraj PK
7402 - 7412	Electronic and Vibrational Hyperpolarizabilities of Lithium Substituted (Aza)benzenes and (Aza)naphthalenes Marques S, Castro MA, Leao SA, Fonseca TL
7413 - 7420	Structure Determination of Phosphoric Acid and Phosphate Ions in Aqueous Solution Using EXAFS Spectroscopy and Large Angle X-ray Scattering Persson I, Trublet M, Klysubun W
7421 - 7426	Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics Cole WTS, Yonder O, Sheikh AA, Fellers RS, Viant MR, Saykally RJ, Farrell JD, Wales DJ
7427 - 7436	Probing the Structures of Solvent-Complexed Ions Formed in Electrospray Ionization Using Cryogenic Infrared Photodissociation Spectroscopy Bell MR, Cruzeiro VWD, Cismesia AP, Tesler LF, Roitberg AE, Polfer NC
7437 - 7442	Time Domain Simulations of Single Molecule Raman Scattering Apra E, Bhattarai A, Crampton KT, Bylaska EJ, Govind N, Hess WP, El-Khoury PZ
7443 - 7454	Proton Transfer in 1,2,4-Triazolium Dinitramide: Effect of Aqueous Microsolvation Conrad JA, Pruitt SR, Gordon MS
7455 - 7463	Solvent and Temperature Effects on Dynamics and Chiroptical Properties of Propeller Chirality and Toroidal Interaction of Hexaarylbenzenes Kosaka T, Iwai S, Inoue Y, Moriuchi T, Mori T
7464 - 7471	Thermochemically Consistent Free Energies of Hydration for Di- and Trivalent Metal Ions Kepp KP
7472 - 7481	Intramolecular [3+2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET) Adjieufack AI, Liegeois V, Mboumbouo IN, Mbadcam JK, Champagne B
7482 - 7490	Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water Shi YF, Scheiber H, Khaliullin RZ
7491 - 7496	The Effect of Dyes with Different pi-Linkers on the Overall Performance of P-DSSCs: Lessons from Theory Gao Y, Guan W, Yan LK
7497 - 7507	Influence of Alkyne and Azide Substituents on the Choice of the Reaction Mechanism of the Cu+-Catalyzed Addition of Azides to lodoalkynes Silva PJ, Bernardo CEP
7508 - 7513	Star Atoms Blumel R
7514 - 7521	Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals Arhangelskis M, Jochym DB, Bernasconi L, Friscic T, Morris AJ, Jones W