Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.1 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (37 articles)

2 - 5	New method for direct linear-scaling calculation of electron density of proteins Mei Y, Zhang DW, Zhang JZH
6 - 8	pi-pi interaction in pyridine Mishra BK, Sathyamurthy N
9 - 12	Lanthanide organometallic sandwich nanowires: Formation mechanism Hosoya N, Takegami R, Suzumura J, Yada K, Koyasu K, Miyajima K, Mitsui M, Knickelbein MB, Yabushita S, Nakajima A
13 - 35	Elementary steps in excited-state proton transfer Agmon N
36 - 39	Photodissociation of p-xylene in polar and nonpolar solutions Fujiwara M, Mouri Y, Ariki K, Tanimoto Y
40 - 43	Dynamic interaction between alkylammonium ions and beta-cyclodextrin by means of ultrasonic relaxation Yamaguchi K, Fukahori T, Nishikawa S
44 - 56	Anomalous microscopic dielectric response of dipolar solvents and water Mertz EL
57 - 63	NMR relaxation study of the protonated form of 1,8-bis(dimethylamino)naphthalene in isotropic solution: Anisotropic motion outside of extreme narrowing and ultrafast proton transfer Bernatowicz P, Kowalewski J, Sandstrom D
64 - 82	Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map Hayashi T, Jansen TL, Zhuang W, Mukamel S
83 - 91	Time evolution of density fluctuation in supercritical region. I. Non-hydrogen-bonded fluids studied by dynamic light scattering Saitow KI, Kajiya D, Nishikawa K
92 - 96	Raman investigation of the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide and its mixture with LiN(SO2CF3)(2) Castriota M, Caruso T, Agostino RG, Cazzanelli E, Henderson WA, Passerini S
97 - 104	Reactivity of atomic cobalt with molecular oxygen: A combined IR matrix isolation and theoretical study of the formation and structure of CoO2 Danset D, Alikhani ME, Manceron L
105 - 114	Characterization of ground and low-lying excited states of CoO4: A combined matrix isolation and DFT study Danset D, Alikhani ME, Manceron L
115 - 121	Structural and conformational properties of 1,2-propadienylphosphine (allenylphosphine) studied by microwave spectroscopy and quantum chemical calculations Mollendal H, Demaison J, Petitprez D, Wlodarczak G, Guillemin JC
122 - 132	Harmonic theory of thermal two-photon absorption in benzene Zhang ML, Pollak E
133 - 137	Reversible adduct formation of trimethylgallium and trimethylindium with ammonia Creighton JR, Wang GT
138 - 141	Morphology of protonated methanol clusters: An infrared spectroscopic study of hydrogen bond networks of H+(CH3OH)(n) (n=4-15) Fujii A, Enomoto S, Miyazaki M, Mikami N
142 - 147	Use of a solvatochromic probe for study of solvation in ternary solvent mixture Ray N, Bagchi S
148 - 156	Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO center dot OH) by time-resolved EPR Maurel V, Mouesca JM, Desfonds G, Gambarelli S
157 - 164	Gas-phase ion-molecule reactions of metal-carbide cations MCn divided by (M=Y and La; n=2, 4, and 6) with benzene and cyclohexane investigated by FTICR mass spectrometry and DFT calculations Zhang R, Dinca A, Fisher KJ, Smith DR, Willett GD
165 - 168	Pulse radiolysis of aqueous thiocyanate solution Milosavljevic BH, LaVerne JA
169 - 180	Glycolaldehyde plus OH gas phase reaction: A quantum chemistry divided by CVT/SCT approach Galano A, Alvarez-Idaboy JR, Ruiz-Santoy ME, Vivier-Bunge A
181 - 190	Some electronic correlation effects in the topological analysis of the Laplacian of the electronic charge density in C-n-butonium cations Lobayan RM, Sosa GL, Jubert AH, Peruchena NN
191 - 196	Estimates of the ab initio limit for sulfur-pi interactions: The H2S-benzene dimer Tauer TP, Derrick ME, Sherrill CD
197 - 204	Optimizing the structures of minimum and transition state on the free energy surface Yang SY, Hristov I, Fleurat-Lessard P, Ziegler T
205 - 212	New dual descriptor for chemical reactivity Morell C, Grand A, Toro-Labbe A
213 - 217	An ab initio study of S(N)2 reactivity at C6 in hexopyranose derivatives. I. Influence of dipole-dipole interactions in the transition structure Dawes R, Gough KM, Hultin PG
218 - 223	An ab initio study of S(N)2 reactivity at C6 in hexopyranose derivatives. II. Role of populations, barriers, and reaction path curvature Dawes R, Gough KM, Hultin PG
224 - 230	Interaction of Co+ and Co2+ with glycine. A theoretical study Constantino E, Rodriguez-Santiago L, Sodupe M, Tortajada J
231 - 235	Spin-coupled study of the electronic mechanism of the hetero-diels-alder reaction of acrolein and ethene Blavins JJ, Cooper DL, Karadakov PB
236 - 239	Ab initio probing of the aromatic oxygen cluster O-4(2+) Elliott BM, Boldyrev AI
240 - 249	Charge loss in gas-phase multiply negatively charged oligonucleotides Anusiewicz W, Berdys-Kochanska J, Czaplewski C, Sobczyk M, Daranowski EM, Skurski P, Simons J
250 - 258	Coulomb-assisted dissociative electron attachment: Application to a model peptide Sobczyk M, Anusiewicz W, Berdys-Kochanska J, Sawicka A, Skurski P, Simons J
259 - 261	(M4H3X)(2)B2O2: Hydrometal complexes (M = Ni, Mg) containing double tetracoordinate planar nonmetal centers (X = C, N) Li SD, Ren GM, Miao CQ
262 - 272	How flexible are fleximer nucleobases? A computational study Bardon AB, Wetmore SD
273 - 282	Gas-phase study of the chemistry and coordination of lead(II) in the presence of oxygen-, nitrogen-, sulfur-, and phosphorus-donating ligands Puskar L, Barran PE, Duncombe BJ, Chapman D, Stace AJ
283 - 288	Complex behavior in the formaldehyde - Sulfite reaction Kovacs K, McIlwaine R, Gannon K, Taylor AF, Scott SK