10371 - 10374 |
Photophysical properties of near-infrared-emitting Ln(III) complexes with 1-(9-anthryl)-4,4,4-trifluoro-1,3-butandione (Ln = Nd and Er) Nah MK, Cho HG, Kwon HJ, Kim YJ, Park C, Kim HK, Kang JG |
10375 - 10383 |
Quasi-classical trajectory calculations analyzing the reactivity and dynamics of asymmetric stretch mode excitations of methane in the H+CH4 reaction Rangel C, Corchado JC, Espinosa-Garcia J |
10384 - 10391 |
Dynamics in supercooled ionic organic liquids and mode coupling theory analysis Li J, Wang I, Fruchey K, Fayer MD |
10392 - 10403 |
Gas-phase acidities and O-H bond dissociation enthalpies of phenol, 3-methylphenol, 2,4,6-trimethylphenol, and ethanoic acid Angel LA, Ervin KM |
10404 - 10408 |
Electronic absorption spectra of the protonated polyacetylenes H2CnH+ (n=4, 6, 8) in neon matrixes Batalov A, Fulara J, Shnitko I, Maier JP |
10409 - 10418 |
Contrasting products in the reactions of Cr, Mo, and W atoms with H2O2: Argon matrix infrared spectra and theoretical calculations Wang XF, Andrews L |
10419 - 10426 |
Reactions of group 3 transition metal atoms with CS2 and OCS: Matrix isolation infrared spectra and density-functional calculations of SMCS, SM-(eta(2)-CS), SMCO, and SM-(eta(2)-CO) in solid argon Baker AB, Andrews L |
10427 - 10434 |
Thermal lens spectroscopy in cryogenic solutions: Analysis and comparison of intensities in CH4-N-2 and CH4-Ar liquid solutions Lopez-Calvo A, Manzanares CE |
10435 - 10443 |
On the reactive uptake of gaseous compounds by organic-coated aqueous aerosols: Theoretical analysis and application to the heterogeneous hydrolysis of N2O5 Anttila T, Kiendler-Scharr A, Tillmann R, Mentel TF |
10444 - 10455 |
Measurement of effective Knudsen diffusion coefficients for powder beds used in heterogeneous uptake experiments Boulter JE, Marschall J |
10456 - 10464 |
Br-2 production from the heterogeneous reaction of gas-phase OH with aqueous salt solutions: Impacts of acidity, halide concentration, and organic surfactants Frinak EK, Abbatt JPD |
10465 - 10477 |
Pointers toward the occurrence of C-F center dot center dot center dot F-C interaction: Experimental charge density analysis of 1-(4-fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one and 1-(4-fluorophenyl)-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline Chopra D, Cameron TS, Ferrara JD, Row TNG |
10478 - 10486 |
Assessment of density functionals for pi systems: Energy differences between cumulenes and poly-ynes; Proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff bases Zhao Y, Truhlar DG |
10487 - 10494 |
Structure, vibrational spectrum, and ring puckering barrier of cyclobutane Blake TA, Xantheas SS |
10495 - 10500 |
Computational studies on stable triplet states of heteroacetylenes and the effects of halogen substituents Cheng MJ, Cheng HM, Chu SY |
10501 - 10506 |
Interaction energy of a water molecule with a single-layer graphitic surface modeled by hydrogen- and fluorine-terminated clusters Sudiarta IW, Geldart DJW |
10507 - 10512 |
Characteristics of multiple N,O bonds Love I |
10513 - 10520 |
Minimum-error method for scattering problems in quantum mechanics: Two stable and efficient implementations Temel B, Mills G, Metiu H |
10521 - 10524 |
Computational study of pharmacophores: beta-lactams Novak I, Chua PJ |