Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (39 articles)

9323 - 9327	Direct measurement of fast electron spin-lattice relaxation: Method and application to nitroxide radical solutions and Gd3+ contrast agents Atsarkin VA, Demidov VV, Vasneva GA, Odintsov BM, Belford RL, Raduchel B, Clarkson RB
9328 - 9335	Reorientation dynamics of rhodamine 640 in normal alcohols: Measurement of the length and time scale of transient local heating in solution Dela Cruz JL, Blanchard GJ
9336 - 9346	Molecular dynamics simulations of liquid nitromethane Sorescu DC, Rice BM, Thompson DL
9347 - 9353	Molecular structure and torsional potential of trans-azobenzene. A gas electron diffraction study Tsuji T, Takashima H, Takeuchi H, Egawa T, Konaka S
9354 - 9365	Transferability and physicochemical interpretation of canonical force fields in redundant internal coordinates: Pyridazine and 3,6-dichloropyridazine Vazquez J, Gonzalez JJL, Marquez F, Torres EM, Boggs JE
9366 - 9374	Structure of hydrogen-bonded clusters of 7-azaindole studied by IR dip spectroscopy and ab initio molecular orbital calculation Yokoyama F, Watanabe H, Omi T, Ishiuchi S, Fujii M
9375 - 9378	Resonance Raman spectroscopy of mass selected chromium trimers in an argon matrix Fang L, Davis B, Lu HY, Lombardi JR
9379 - 9387	An ab initio molecular orbital and dynamics study on penning ionization of Ar with He metastables(He*(2(1)S,2(3)S)) into the spin-orbit Ar+(P-2(3/2),P-2(1/2)) states Ishida T, Katagiri H
9388 - 9395	Theoretical study of the photodissociation and hydrogenation of the fluorene cation Szczepanski J, Dibben MJ, Pearson W, Eyler JR, Vala M
9396 - 9409	ReaxFF: A reactive force field for hydrocarbons van Duin ACT, Dasgupta S, Lorant F, Goddard WA
9410 - 9414	Effect of spin-surface crossing on the kinetics of sequential ligation of Ru+ with ammonia in the gas phase at room temperature Gorelsky SI, Lavrov VV, Koyanagi GK, Hopkinson AC, Bohme DK
9415 - 9421	The reaction probability of OH on organic surfaces of tropospheric interest Bertram AK, Ivanov AV, Hunter M, Molina LT, Molina MJ
9422 - 9426	Observations on the interpretation and analysis of sulfuric acid hydrate infrared spectra Nash KL, Sully KJ, Horn AB
9427 - 9435	Kinetics of a Diels-Alder reaction of maleic anhydride and isoprene in supercritical CO2 Glebov EM, Krishtopa LG, Stepanov V, Krasnoperov LN
9436 - 9444	Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K Yamada T, Siraj M, Taylor PH, Peng JP, Hu XH, Marshall P
9445 - 9453	Modeling of the tridentate amorphous silica ligand Garrot JM, Lepetit C, Che M, Chaquin P
9454 - 9459	Molecular scale rectifier: Theoretical study Majumder C, Mizuseki H, Kawazoe Y
9460 - 9466	Topological analysis of multiple metal-metal bonds in dimers of the M-2(formamidinate)(4) type with M = Nb, Mo, Tc, Ru, Rh, and Pd Llusar R, Beltran A, Andres J, Fuster F, Silvi B
9467 - 9477	Valence-state atoms in molecules. 6. Universal ionic-covalent potential energy curves von Szentpaly L, Gardner DON
9478 - 9481	Ab initio, quantum chemical studies of reactions in astrophysical ices 3. Reactions of HOCH2NH2 formed in H2CO/NH3/H2O ices Woon DE
9482 - 9488	Structural investigations on octaethylporphyrin using density functional theory and polarization-sensitive resonance coherent anti-Stokes Raman scattering spectroscopy Schlucker S, Koster J, Nissum M, Popp J, Kiefer W
9489 - 9497	Ab initio study of the structure and polarizability of sulfur clusters, S-n (n=2-12) Millefiori S, Alparone A
9498 - 9508	Nonisotropic excitation energy transport in organized molecular systems: Monte Carlo simulation-based analysis of fluorescence and fluorescence anisotropy decay. Yatskou MM, Donker H, Novikov EG, Koehorst RBM, van Hoek A, Apanasovich VV, Schaafsma TJ
9509 - 9517	Chiral molecules with achiral excited states: A computational study of 1,3-dimethylallene Deretey E, Shapiro M, Brumer P
9518 - 9521	On the rovibrational partition function of molecular hydrogen at high temperatures Riganelli A, Prudente FV, Varandas AJC
9522 - 9527	Estimation of the interaction-induced effects on the far-infrared and infrared correlation functions of HCl dissolved in CCl4: A molecular dynamics study Chatzis G, Samios J
9528 - 9532	Mechanism of dissolution of neutral silica surfaces: Including effect of self-healing Pelmenschikov A, Leszczynski J, Pettersson LGM
9533 - 9542	Ab initio calculations on the (1)(2)Delta excited state and low-lying quartet states of Ga center dot N-2: Simulation of its LIF spectrum Lee EPF, Dyke JM, Mok DKW, Claridge RP, Chau FT
9543 - 9552	Structures, intramolecular rotation barriers, and thermochemical properties: Ethanol, alpha-monoethanols, dichloroethanols, and corresponding radicals derived from H atom loss Sun HY, Bozzelli JW
9553 - 9562	Patterns of ring currents in conjugated molecules: A few-electron model based on orbital contributions Steiner E, Fowler PW
9563 - 9567	A superexchange-mediated sequential hopping theory for charge transfer in DNA Li XQ, Zhang HY, Yan YJ
9568 - 9574	Molecular design for octupolar nonlinear optical systems: An ab initio, study of first hyperpolarizabilities of symmetrically heteroaromatic-substituted triazines Zhu WH, Wu GS
9575 - 9586	Intrinsic basicities of phosphorus imines and ylides: A theoretical study Koppel IA, Schwesinger R, Breuer T, Burk P, Herodes K, Koppel I, Leito I, Mishima M
9587 - 9594	Structure, conformations, and internal hydrogen bonding in gaseous 4-fluorobutan-1-ol. Gas-phase electron diffraction and ab initio study Traetteberg M, Richardson AD, Hedberg K, Winter RW, Gard GL
9595 - 9597	Potential energy surface of SOCl3- Bachrach SM, Hayes JM, Check CE, Sunderlin LS
9598 - 9610	Theoretical study on triplet potential energy surface of the CH((2)Pi)+NO2 reaction Tao YG, Ding YH, Li ZS, Huang XR, Sun CC
9611 - 9615	Radiolysis of TcO4(-) in alkaline, nitrate solutions: Reduction by NO32- Luckens WW, Bucher JJ, Edelstein NM, Shuh DK
9616 - 9623	Diffusivity and conductivity of a solvent primitive model electrolyte in a nanopore by equilibrium and nonequilibrium molecular dynamics simulations Tang YW, Szalai I, Chan KY
9624 - 9624	Formation of nitrile ylide by addition of carbene with acetonitrile in a low-temperature argon matrix (vol 103A, pg 8192, 1999) Naito I, Nakamura K, Kumagai T, Oku A, Hori K, Matsuda K, Iwamura H