Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

3005 - 3008	Benzenium-Ethene Complex: A Fundamental Problem for Standard Second-Order Moller-Plesset Theory Schwabe T, Grimme S
3009 - 3020	Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory Mennucci B, Cappelli C, Guido CA, Camlmi R, Tomasi J
3021 - 3028	Excited-State Proton Transfer to Solvent from Phenol and Cyanophenols in Water Kaneko S, Yotoriyama S, Koda H, Tobita S
3029 - 3040	Reactions of Neutral Vanadium Oxide Clusters with Methanol Dong F, Heinbuch S, Xie Y, Rocca JJ, Bernstein ER
3041 - 3050	Ultrafast Dynamics of Isolated Phenylcarbenes Followed by Femtosecond Time-Resolved Velocity Map Imaging Noller B, Poisson L, Maksimenka R, Gobert O, Fischer I, Mestdagh JM
3051 - 3060	Mode-Specific Vibrational Energy Relaxation of Amide I' and II' Modes in N-Methylacetamide/Water Clusters: Intra- and Intermolecular Energy Transfer Mechanisms Zhang Y, Fujisaki H, Straub JE
3061 - 3067	Effect of a Gradient Static Magnetic Field on an Unstirred Belousov-Zhabotinsky Reaction by Changing the Thickness of the Medium Okano H, Kitahata H, Akai D
3068 - 3077	Temperature and Solvent Effects on Radical Scavenging Ability of Phenols Thavasi V, Bettens RPA, Leong LP
3078 - 3087	Blue Shifting C-H center dot center dot center dot O Hydrogen Bonded Complexes between Chloroform and Small Cyclic Ketones: Ring-Size Effects on Stability and Spectral Shifts Mukhopadhyay A, Mukherjee M, Pandey P, Samanta AK, Bandyopadhyay B, Chakraborty T
3088 - 3095	Self-Assembly of Hydrogensquarates: Crystal Structures and Properties Koleva BB, Kolev T, Seidel RW, Spiteller M, Mayer-Figge H, Sheldrick WS
3096 - 3107	Long-Lived Photogenerated States of alpha-Oligothiophene-Acridinium Dyads Have Triplet Character Hu JQ, Xia B, Bao DD, Ferreira A, Wan JD, Jones G, Vullev VI
3108 - 3115	Acryloyl Chloride and Acryloyl Isocyanate (CH2=CHC(O)X, X = Cl, NCO): A HeI Photoelectron Spectroscopy and Theoretical Study Ge MF, Ma CP, Xue W
3116 - 3120	Kinetics of the Single-Crystal to Single-Crystal Two-Photon Photodimerization of alpha-trans-Cinnamic Acid to alpha-Truxillic Acid Benedict JB, Coppens P
3121 - 3126	Matrix Infrared Spectroscopic and Theoretical Studies on the Reactions of Late Lanthanoid Atoms with Nitrous Oxide in Excess Argon Jiang L, Xu Q
3127 - 3132	A Simple Method of Gas Evolution Measurement Suitable for Analysis of Batch Oscillating Reactions: Briggs-Rauscher System with Acetone Revisited Szabo E, Sevcik P
3133 - 3136	Stationary Periodical Structure Emitting an Infinite Number of Traveling Impulses in a Model of a One-Dimensional Infinite Excitable Reaction-Diffusion System Kawczynski AL
3137 - 3142	Rotational Spectra and Conformational Analysis of Diethylsilane and Diethyldifluorosilane Peebles SA, Serafin MM, Peebles RA
3143 - 3154	Raman Spectroscopic Study on the Solvation of p-Aminobenzonitrile in Supercritical Water and Methanol Osawa K, Hamamoto T, Fujisawa T, Terazima M, Sato H, Kimura Y
3155 - 3161	Atmospheric Chemistry of 4:2 Fluorotelomer Acrylate [C4F9CH2CH2OC(O)CH=CH2]: Kinetics, Mechanisms, and Products of Chlorine-Atom- and OH-Radical-Initiated Oxidation Butt CM, Young CJ, Mabury SA, Hurley MD, Wallington TJ
3162 - 3170	Self-Consistent Charge Equilibration Method and Its Application to Au13Nan (n=1,10) Clusters Zhang M, Fournier R
3171 - 3176	Derivatives of Spiropentadiene Dication: New Species with Planar Tetracoordinate Carbon (ptC) atom Firme CL, Antunes OAC, Esteves PM, Correa RJ
3177 - 3185	Kinetics of Enol Formation from Reaction of OH with Propene Huynh LK, Zhang HR, Zhang SW, Eddings E, Sarofim A, Law ME, Westmoreland PR, Truong TN
3186 - 3196	Effect of Methoxy Substituents on the Structural and Electronic Properties of Fluorinated Cyclobutenes: A Study of Hexafluorocyclobutene and Its Vinyl Methoxy Derivatives by XRD and Periodic DFT Calculations Lo Presti L, Ellern A, Destro R, Lunelli B
3197 - 3201	First Calculations of N-15-N-15 J Values and New Calculations of Chemical Shifts for High Nitrogen Systems: A Comment on the Long Search for HN5 and Its Pentazole Anion Perera SA, Gregusova A, Bartlett RJ
3202 - 3209	Bonding Nature of Open-Lantern-type Dinuclear Cr(II) Complexes. Theoretical Study with the MRMP2 Method Kurokawa YI, Nakao Y, Sakaki S
3210 - 3222	Prediction of Electron Densities, the Respective Laplacians, and Ellipticities in Bond-Critical Points of Phenyl-CH-Bonds via Linear Relations to Parameters of Inherently Localized CD Stretching Vibrations and H-1 NMR-Shifts Presselt M, Schnedermann C, Schmitt M, Popp J
3223 - 3226	Complete Set of Critical Points on the C60H+ Potential Energy Surface Sala M, Hodoscek M, Arulmozhiraja S, Fujii T
3227 - 3236	Dynamical Behavior of the H-2 Molecule of the PtH(H-2)[P(t-Bu)(3)](2)(+) Complex. A Theory of Chemical Reactivity Matsubara T
3237 - 3244	Theoretical Study of the 1:1 Complexes between Carbon Monoxide and Hypohalous Acids Blanco F, Alkorta I, Solimannejad M, Elguero J
3245 - 3253	Remarkable Blue Shifts of C-H and N-H Stretching Frequencies in the Interaction of Monosubstituted Formaldehyde and Thioformaldehyde with Nitrosyl Hydride Nguyen TT, Tran TH, Nguyen MT
3254 - 3265	QTAIM Study on the Degenerate Cope Rearrangements of 1,5-Hexadiene and Semibullvalene Brown EC, Bader RFW, Werstiuk NH
3266 - 3273	Energetic vs Synergetic Stability: A Theoretical Study Estarellas C, Frontera A, Quinonero D, Alkorta I, Deya PM, Elguero J
3274 - 3284	Effect of Substitutional N on Important Chemical Vapor Deposition Diamond Growth Steps Van Regemorter T, Larsson K
3285 - 3290	Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors Wodrich MD, Corminboeuf C
3291 - 3298	Combined QM/MM MD Study of HCOO--Water Hydrogen Bonds in Aqueous Solution Payaka A, Tongraar A, Rode BM
3299 - 3302	Spin State Splitting in Carbon Gasification Models Frankcombe TJ