Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (21 articles)

2245 - 2249	Ab Initio Prediction of Amorphous B-84 Shang B, Yuan LF, Zeng XC, Yang JL
2250 - 2258	Ab Initio and DFT Studies on Methanol-Water Clusters Mandal A, Prakash M, Kumar RM, Parthasarathi R, Subramanian V
2259 - 2265	Photoelectron Imaging of Cyanovinylidene and Cyanoacetylene Anions Goebbert DJ, Khuseynov D, Sanov A
2266 - 2274	Rare Gas-Benzene-Rare Gas Interactions: Structural Properties and Dynamic Behavior Alberti M
2275 - 2283	Kinetics of the Cyclopentadienyl plus Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene plus H Reactions da Silva G, Cole JA, Bozzelli JW
2284 - 2292	Theoretical Infrared and Terahertz Spectra of an RDX/Aluminum Complex Guadarrama-Perez C, de La Hoz JMM, Balbuena PB
2293 - 2299	Infrared Spectra of MF2, MF2+, MF4-, MF3, and M2F6 Molecules (M = Sc, Y, La) in Solid Argon Wang XF, Andrews L
2300 - 2305	Microwave and Quantum Chemical Study of Propargyl Thiocyanate (HC CCH2SC N) Mollendal H, Konovalov A, Guillemin JC
2306 - 2312	Radicals from the Gas-Phase Pyrolysis of Catechol: 1. o-Semiquinone and ipso-Catechol Radicals Khachatryan L, Adounkpe J, Asatryan R, Dellinger B
2313 - 2318	Car-Parrinello Molecular Dynamics Study of the Intramolecular Vibrational Mode-Sensitive Double Proton-Transfer Mechanisms in Porphycene Walewski L, Waluk J, Lesyng B
2319 - 2323	Ab Initio Study of Bond Characteristics and Magnetic Properties of Mixed-Sandwich V(n)Bz(m)Cp(k) Clusters Zhang XY, Wang JL
2324 - 2330	Influence of the Substituents on the Structure and Properties of Benzoxaboroles Adamczyk-Wozniak A, Cyranski MK, Jakubczyk M, Klimentowska P, Koll A, Kolodziejczak J, Pojmaj G, Zubrowska A, Zukowska GZ, Sporzynski A
2331 - 2337	Response of Observables for Cold Anionic Water Clusters to Cluster Thermal History Madarasz A, Rossky PJ, Turi L
2338 - 2343	On the Binding of SF6 to Cucurbit[6]uril Host: Density Functional Investigations Pinjari RV, Gejji SP
2344 - 2349	Relationships between Cumulant and Spin-Density Matrices: Application to the Decomposition of Spin Torre A, Alcoba DR, Lain L, Bochicchio RC
2350 - 2356	Carbonic Acid Formation from Reaction of Carbon Dioxide and Water Coordinated to Al(OH)(3): A Quantum Chemical Study Baltrusaitis J, Grassian VH
2357 - 2364	Comparison of the Auxiliary Density Perturbation Theory and the Noniterative Approximation to the Coupled Perturbed Kohn-Sham Method: Case Study of the Polarizabilities of Disubstituted Azoarene Molecules Shedge SV, Carmona-Espindola J, Pal S, Koster AM
2365 - 2375	Binuclear Nickel Carbonyl Thiocarbonyls: Metal-Metal Multiple Bonds versus Four-Electron Donor Thiocarbonyl Groups Zhang Z, Li QS, Xie Y, King RB, Schaefer HF
2376 - 2383	Molecular Dynamics Simulation for the Structure of the Water Chain in a Transmembrane Peptide Nanotube Liu J, Fan JF, Tang M, Zhou WQ
2384 - 2392	Theoretical Study of the Pyrolysis of Methyltrichlorosilane in the Gas Phase. 3. Reaction Rate Constant Calculations Ge YB, Gordon MS, Battaglia F, Fox RO
2393 - 2399	Density Functional Study of the Proton Transfer Effect on Vibrations of Strong (Short) Intermolecular O-H center dot center dot center dot N/O-center dot center dot center dot H-N+ Hydrogen Bonds in Aprotic Solvents Kong SS, Shenderovich IG, Vener MV