Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.18 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

3439 - 3442	Luminescent chemical waves in the Cu(II)-catalyzed oscillatory oxidation of SCN- ions with hydrogen peroxide Pekala K, Jurczakowski R, Lewera A, Orlik M
3443 - 3445	The structure of uracil: A laser ablation rotational study Vaquero V, Sanz ME, Lopez JC, Alonso JL
3446 - 3457	Understanding of assembly phenomena by aromatic-aromatic interactions: Benzene dimer and the substituted systems Lee EC, Kim D, Jurecka P, Tarakeshwar P, Hobza P, Kim KS
3458 - 3464	Production of free radicals and triplets from contact radical pairs and from photochemically generated radical ions Gladkikh VS, Angulo G, Burshtein AI
3465 - 3479	Noncovalent interactions of Cu+ with N-donor ligands (pyridine, 4,4-dipyridyl, 2,2-dipyridyl, and 1,10-phenanthroline): Collision-induced dissociation and theoretical studies Rannulu NS, Rodgers MT
3480 - 3484	Photoinduced dynamics of hydrated adenine clusters Nam SH, Park HS, Song JK, Park SM
3485 - 3496	Spin chemical control of photoinduced electron-transfer processes in ruthenium(II)-trisbipyridine-based supramolecular triads: 2. The effect of oxygen, sulfur, and selenium as heteroatom in the azine donor Rawls MT, Kollmannsberger G, Elliott CM, Steiner UE
3497 - 3501	Quasi-classical trajectory study of the F+CD4 reaction dynamics Espinosa-Garcia J
3502 - 3506	Photophysics of alpha,omega-diphenyloctatetraene in the vapor phase Itoh T
3507 - 3512	Modeling of branching ratio uncertainty in chemical networks by Dirichlet distributions Carrasco N, Pernot P
3513 - 3518	The substituted alkyne 3-heptyne is eclipsed Churchill GB, Bohn RK
3519 - 3525	Infrared spectroscopic and density functional theory study on the reactions of lanthanum atoms with carbon dioxide in rare-gas matrices Jiang L, Xu Q
3526 - 3533	Stress dependence of sapphire cathodoluminescence from optically active oxygen defects as a function of crystallographic orientation Munisso MC, Zhu WL, Leto A, Pezzotti G
3534 - 3539	Matrix isolation infrared spectroscopic and theoretical study of group IV metal oxide clusters: M2O2 and M2O4 Gong Y, Zhang QQ, Zhou MF
3540 - 3547	Infrared spectroscopy of ozone-water complex in a neon matrix Tsuge M, Tsuji K, Kawai A, Shibuya K
3548 - 3553	Temperature effect on the absorption spectrum of the hydrated electron paired with a lithium cation in deuterated water Lin MZ, Kumagai Y, Lampre I, Coudert FX, Muroya Y, Boutin A, Mostafavi M, Katsumura Y
3554 - 3559	Possible gas-phase reactions of H-2/CH4/tetramethylsilane in diamond/beta-SiC nanocomposite film deposition: An ab-initio study Zhao YL, Zhang RQ, Srikanth VVSS, Jiang X
3560 - 3565	First-principles thermochemistry for the production of TiO2 from TiCl4 West RH, Beran GJO, Green WH, Kraft M
3566 - 3570	Reaction of acetaldehyde with Ni+: An extended theoretical study of the decarbonylation mechanism of acetaldehyde by first-row transition metal ions Chen XF, Guo WY, Zhao LM, Fu QT, Ma Y
3571 - 3576	Electronic structure and bonding of {Fe(PhNO2)}(6) complexes: A density functional theory study Isayev O, Gorb L, Zilberberg I, Leszczynski J
3577 - 3584	Ab initio analysis of the structural properties of alkyl-substituted polyhedral oligomeric silsesquioxanes Li HC, Lee CY, McCabe C, Striolo A, Neurock M
3585 - 3591	Resonance-assisted hydrogen bonds: A critical examination. Structure and stability of the enols of beta-diketones and beta-enaminones Sanz P, Mo O, Yanez M, Elguero J
3592 - 3601	Correlation effects in EOM-CCSD for the excited states: Evaluated by AIM localization index (LI) and delocalization index (DI) Wang YG, Wiberg KB, Werstiuk NH
3602 - 3612	Influence of metal cations on the intramolecular hydrogen-bonding network and pK(a) in phosphorylated compounds Yang P, Spiess B, Murthy PPN, Brown RE
3613 - 3617	Hydration and water-exchange mechanism of the UO22+ ion revisited: The validity of the "n+1" model Tsushima S
3618 - 3632	Theoretical study of the dynamics of Ar collisions with C2H6 and C2F6 at hyperthermal energy Tasic U, Hein P, Troya D
3633 - 3641	Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: Diradical character and spin multiplicity dependences Ohta S, Nakano M, Kubo T, Kamada K, Ohta K, Kishi R, Nakagawa N, Champagne B, Botek E, Takebe A, Umezaki S, Nate M, Takahashi H, Furukawa S, Morita Y, Nakasuji K, Yamaguchi K
3642 - 3651	Clusters of hydrated methane sulfonic acid CH3SO3H center dot(H2O)(n) (n=1-5): A theoretical study Wang LM
3652 - 3660	Density functional theory study on anti-resonance in preresonance Raman scattering for naphthalene molecules Zheng RH, Wei WM
3661 - 3671	YinYang atom: A simple combined ab initio quantum mechanical molecular mechanical model Shao YH, Kong J
3672 - 3672	Calculation of electron affinities of polycyclic aromatic hydrocarbons and solvation energies of their radical anions (vol 110A pg 12927, 2006) Betowski LD, Enlow M, Riddick L, Aue DH