Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

9217 - 9227	Fragmentation Pathways in the Uracil Radical Cation Zhou CY, Matsika S, Kotur M, Weinacht TC
9228 - 9237	Kinetics and Mechanisms of the Thermal Decomposition of 2-Methyl-1,3-dioxolane, 2,2-Dimethyl-1,3-dioxolane, and Cyclopentanone Ethylene Ketal in the Gas Phase. Combined Experimental and DFT Study Rosas F, Lezama J, Mora JR, Maldonado A, Cordova T, Chuchani G
9238 - 9244	Thermal Decomposition of 1-Pentanol and Its Isomers: A Theoretical Study Zhao L, Ye LL, Zhang F, Zhang LD
9245 - 9254	Production of H and O(P-3) Atoms in the Reaction of CH2 with O-2 Lee PF, Matsui H, Chen WY, Wang NS
9255 - 9260	First-Principles Study of the Infrared Spectra of the Ice Ih (0001) Surface Pham TA, Huang P, Schwegler E, Galli G
9261 - 9270	Infrared Spectra of IrCCH2, HIrCCH, and Ir-eta(2)-C2H2 Prepared in Reaction of Laser-Ablated Iridium Atom with Acetylene Wang Q, Liu X, Xu B, Wang XF
9271 - 9278	Solvation Effect on the NH Stretching Vibrations of Solvated Aminopyrazine, 2-Aminopyridine, and 3-Aminopyridine Clusters Yamada Y, Ohba H, Noboru Y, Daicho S, Nibu Y
9279 - 9286	Vibrational Solvatochromism in Vaska's Complex Adducts Huber CJ, Anglin TC, Jones BH, Muthu N, Cramer CJ, Massari AM
9287 - 9294	Infrared Spectroscopy of the Mass 31 Cation: Protonated Formaldehyde vs Methoxy Mosley JD, Cheng TC, McCoy AB, Duncan MA
9295 - 9304	A Time-Dependent Density Functional Theory Study of the Structure and Electronic Spectroscopy of the Group 7 Mixed-Metal Carbonyls: MnTc(CO)(10), MnRe(CO)(10), and TcRe(CO)(10) McKinlay RG, Paterson MJ
9305 - 9314	Oligofluorenes as Polymeric Model Compounds for Providing Insight into the Triplets of Ketone and Ketylimine Derivatives Robert P, Bolduc A, Skene WG
9315 - 9320	Methyliminopropadienone CH3-N=C=C=C=O: Photoelectron Spectrum and Electronic Structure Chrostowska A, Dargelos A, Khayar S, Wentrup C
9321 - 9330	Excited-State Dynamics of Bis-dehydroxycurcumin Carboxylic Acid, a Water-Soluble Derivative of the Photosensitizer Curcumin Nardo L, Maspero A, Selva M, Bondani M, Palmisano G, Ferrari E, Saladini M
9331 - 9339	Computational Studies of CO2 Activation via Photochemical Reactions with Reduced Sulfur Compounds Baltrusaitis J, Patterson EV, Hatch C
9340 - 9346	Absolute Configuration of Atropisomeric Polychlorinated Biphenyl 183 Enantiomerically Enriched in Human Samples Toda M, Matsumura C, Tsurukawa M, Okuno T, Nakano T, Inoue Y, Mori T
9347 - 9352	How Critical Are the van der Waals Interactions in Polymer Crystals? Liu CS, Pilania G, Wang CC, Ramprasad R
9353 - 9360	Structural, Electronic, and Magnetic Properties Of ConCum Nanoalloys (m plus n=12) from First Principles Calculations Aguilera-Granja F, Torres MB, Vega A, Balbas LC
9361 - 9369	Quantum Mechanical Study of Pre-Dissociation Enhancement of Linear and Nonlinear Polarizabilities of (TeO2)(n) Oligomers as a Key to Understanding the Remarkable Dielectric Properties of TeO2 Glasses Smirnov M, Mirgorodsky A, Masson O, Thomas P
9370 - 9381	Charge-Dependent Trends in Structures and Vibrational Frequencies of [CO-Au-O-2](q) (q=-1, 0, +1) Complexes: Evidence for Cooperative Interactions Smith AN, Moore DT
9382 - 9390	Probing the Electronic Structures and Properties of Neutral and Charged Monomethylated Arsenic Species (CH3Asn(-1,0,+1), n=1-7) Using Gaussian-3 Theory Bai X, Zhang QC, Yang JC, Ning HM
9391 - 9397	Computational Studies on Energetic Properties of Trinitro-Substituted Imidazole-Triazole and Pyrazole-Triazole Derivatives Ghule VD
9398 - 9403	Heteroaryl Oxenium Ions Have Diverse and Unusual Low-Energy Electronic States Hanway PJ, Winter AH
9404 - 9411	Intramolecular interactions versus Hydration Effects on p-Guanidinoethyl-phenol Structure and pK(a) Values Derbel N, Clarot I, Mourer M, Regnouf-de-Vains JB, Ruiz-Lopez MF
9412 - 9420	Theoretical Investigations of the Reactions of Phosphino Disilenes and Their Derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) Double Bond Li BY, Su MD
9421 - 9430	Comparative Study of Aromaticity in Tetraoxa[8]circulenes Radenkovic S, Gutman I, Bultinck P