Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.8 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

1487 - 1490	Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes Diken EG, Headrick JM, Roscioli JR, Bopp JC, Johnson MA, McCoy AB
1491 - 1496	Time-resolved spectroscopy of the excited singlet states of tirapazamine and desoxytirapazamine Shi XF, Poole JS, Emenike J, Burdzinski G, Platz MS
1497 - 1509	Kinetics of intramolecular charge transfer with N-phenylpyrrole in alkyl cyanides Yoshihara T, Druzhinin SI, Demeter A, Kocher N, Stalke D, Zachariasse KA
1510 - 1520	Solvation and thermalization of electrons generated by above-the-gap (12.4 eV) two-photon ionization of liquid H2O and D2O Lian R, Crowell RA, Shkrob IA
1521 - 1529	Self-assembled aggregates of the carotenoid zeaxanthin: time-resolved study of excited states Billsten HH, Sundstrom V, Polivka T
1530 - 1540	A quantum wave packet dynamical study of the electronic and spin-orbit coupling effects on the resonances in Cl((2)p) + H-2 scattering Ghosal S, Mahapatra S
1541 - 1547	Appearance potential of CF3+ in the dissociative photoionization of CF3Br Walters EA, Clay JT, Grover JR
1548 - 1558	Density functional theory and QT atoms-in-molecules study on the hydration of Cu(I) and Ag(I) ions and sulfides Ni B, Kramer JR, Werstiuk NH
1559 - 1563	Modulation of the photophysical properties of C60 by electronic confinement effect Marquez F, Sabater AJ
1564 - 1569	Small, nonstoichiometric zinc sulfide clusters Chuchev K, Belbruno JJ
1570 - 1575	Solvent-dependent vibrational frequencies and reorganization energies of two merocyanine chromophores Leng WN, Wurthner F, Kelley AM
1576 - 1586	First singlet (n,pi) excited state of hydrogen-bonded complexes between water and pyrimidine Cai ZL, Reimers JR
1587 - 1593	Observation of adducts in the reaction of Cl atoms with XCH2I (X = H, CH3, CL, Br, I) using cavity ring-down spectroscopy Enami S, Hashimoto S, Kawasaki M, Nakano Y, Ishiwata T, Tonokura K, Wallington TJ
1594 - 1602	Theoretical study on structures and stability of (CP)-P-4 isomers Yu GT, Ding YH, Huang XR, Sun CC
1603 - 1607	Comparison of quantum mechanical and experimental gas-phase basicities of amines and alcohols da Silva EF
1608 - 1615	Hard-soft acid-base interactions of silylenes and germylenes Olah J, De Proft F, Veszpremi T, Geerlings P
1616 - 1620	Density functional study of the structures of lead sulfide clusters (PbS)(n) (n=1-9) Zeng HX, Schelly ZA, Ueno-Noto K, Marynick DS
1621 - 1628	Ring conserved isodesmic reactions: A new method for estimating the heats of formation of aromatics and PAHs Sivaramakrishnan R, Tranter RS, Brezinsky K
1629 - 1636	Solvent effects on the S(N)2 reaction: Application of the density functional theory-based effective fragment potential method Adamovic I, Gordon MS
1637 - 1642	[NHN](+) hydrogen bonding in protonated 1,8-bis(dimethylamino)-2,7-dimethoxynaphthalene. X-ray diffraction, infrared, and theoretical a initio and DFT studies Ozeryanskii VA, Pozharskii AF, Bienko AJ, Sawka-Dobrowolska W, Sobczyk L
1643 - 1649	The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods Lynch BJ, Zhao Y, Truhlar DG
1650 - 1661	Conformational Stabilities of 1,1-dicyclopropylethene determined from variable-temperature infrared spectra of xenon solutions and a initio calculations Durig JR, Zheng C, Guirgis GA, Wurrey CJ
1662 - 1674	Comparative DFT study of the spin trapping of methyl, mercapto, hydroperoxy, superoxide, and nitric oxide radicals by various substituted cyclic nitrones Villamena FA, Hadad CM, Zweier JL
1675 - 1683	Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations Dai D, Whangbo MH, Ugrinov A, Sevov SC, Wang F, Li LM, Villesuzanne A, Alekseyev AB, Liebermann HP, Buenker RJ
1684 - 1691	Far- and mid-infrared of crystalline 2,2'-bithiophene: Ab initio analysis and comparison with infrared response Hermet P, Bantignies JL, Rahmani A, Sauvajol JL, Johnson MR, Serein F
1692 - 1702	Hydrophilic interactions between organic and water molecules as models for monolayers at the gas/water interface Ivanova A, Tadjer A, Tyutyulkov N, Radoev B
1703 - 1712	A combined computational and experimental study of the hydrogen-bonded dimers of xanthine and hypoxanthine Hupp T, Sturm C, Janke EMB, Cabre MP, Weisz K, Engels B
1713 - 1719	Theoretical study of the human DNA repair protein HOGG1 activity Schyman P, Danielsson J, Pinak M, Laaksonen A
1720 - 1728	Phenol vs water molecule interacting with various molecules: sigma-type, pi-type, and chi-type hydrogen bonds, interaction energies, and their energy components Bandyopadhyay I, Lee HM, Kim KS
1729 - 1733	A study on the intermolecular hydrogen bonds of alpha-glycylglycine in its actual crystalline phase using ab initio calculated N-14 and H-2 nuclear quadrupole coupling constants Elmi F, Hadipour NL
1734 - 1747	Bond additivity corrections for G3B3 and G3MP2B3 quantum chemistry methods Anantharaman B, Melius CF
1748 - 1751	On the mechanism of hydrogen transfer in the HSCH(O) reversible arrow (S)CHOH and HSNO reversible arrow SNOH reactions Gutierrrez-Oliva S, Herrera B, Toro-Labbe A, Chermette H
1752 - 1752	Photodissociation of acetone in air: Dependence on pressure and wavelength. Behavior of the excited singlet state (vol 109, pg 8. 2005) Emrich M, Warneck P