Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (45 articles)

2379 - 2389	Balance of the deactivation channels of the first excited singlet state of phenols: Effect of alkyl substitution, sterical hindrance, and solvent polarity Hermann R, Mahalaxmi GR, Jochum T, Naumov S, Brede O
2390 - 2400	Dynamic solvation of aminophthalimides in solvent mixtures Wetzler DE, Chesta C, Fernandez-Prini R, Aramendia PF
2401 - 2403	Reaction affinity and entropy production in a model glycolytic oscillation Dutt AK
2404 - 2409	Molecular dynamics simulation of nucleation in the freezing of molten potassium iodide clusters Huang JF, Bartell LS
2410 - 2421	Cis-to-traps isomerization of spheroidene in the triplet state as detected by time-resolved absorption spectroscopy Fujii R, Furuichi K, Zhang JP, Nagae H, Hashimoto H, Koyama Y
2422 - 2429	A new possibility of generalized two-dimensional correlation spectroscopy: Hybrid two-dimensional correlation spectroscopy Wu YQ, Jiang JH, Ozaki Y
2430 - 2437	Temperature dependence of carbonate radical in NaHCO3 and Na2CO3 solutions: Is the radical a single anion? Wu GZ, Katsumura Y, Muroya Y, Lin M, Morioka T
2438 - 2445	Cross-correlated relaxation with anisotropic reorientation and small amplitude local motions Deschamps M
2446 - 2456	Isolated building blocks of photonic materials: High-resolution spectroscopy of excited states of jet-cooled push-pull stilbenes Rijkenberg RA, Bebelaar D, Buma WJ, Hofstraat JW
2457 - 2464	Rhodium dinitrogen complexes Rh(NN)(x) (x=1-3) and anions: Matrix infrared spectra and DFT calculations Wang XF, Andrews L
2465 - 2472	Intracluster ion-molecule reactions of Ti+ with methanol clusters Koo YM, Kim JH, Choi YK, Lee H, Jung KW
2473 - 2482	Study of biogenic and alpha,omega-polyamines by combined inelastic neutron scattering and Raman spectroscopies and by ab initio molecular orbital calculations Marques MPM, de Carvalho LAEB, Tomkinson J
2483 - 2488	Anion photoelectron spectroscopy of vanadium-doped cobalt clusters Pramann A, Koyasu K, Nakajima A, Kaya K
2489 - 2496	Theoretical study on the unimolecular dissociation of CH3SCH3 and CH3SCH2 Mousavipour SH, Emad L, Fakhraee S
2497 - 2504	Properties of the OH adducts of hydroxy-, methyl-, methoxy-, and amino-substituted pyrimidines: Their dehydration reactions and end-product analysis Luke TL, Jacob TA, Mohan H, Destaillats H, Manoj VM, Manoj P, Mittal JP, Hoffmann MR, Aravindakumar CT
2505 - 2511	Effect of NO, CO, and Cl-2 on mixed-mode regimes in the Belousov-Zhabotinskyi oscillating chemical reaction in a CSTR Strizhak PE, Khavrus VO, Bar-Eli K
2512 - 2519	CH3O yield in the CH3+O-3 reaction using the LP/LIF technique at room temperature Albaladejo J, Jimenez E, Notario A, Cabanas B, Martinez E
2520 - 2525	Iodine-catalyzed R/S isomerization of allenic carotenoids He Z, Gao G, Hand ES, Kispert LD, Strand A, Liaaen-Jensen S
2526 - 2537	A study of the photolysis and OH-initiated oxidation of acrolein and trans-crotonaldehyde Magneron I, Thevenet R, Mellouki A, Le Bras G, Moortgat GK, Wirtz K
2538 - 2544	Rate constants for the gas-phase reactions of the hydroxyl radical with isoprene, alpha- and beta-pinene, and limonene as a function of temperature Gill KJ, Hites RA
2545 - 2553	Efficient electron injection from twisted intramolecular charge transfer (TICT) state of 7-diethyl amino coumarin 3-carboxylic acid (D-1421) dye to TiO2 nanoparticle Ramakrishna G, Ghosh HN
2554 - 2560	Theoretical reevaluation of the pi-donating effect of electron-withdrawing substituents in the conjugated cationic systems Han IS, Kim CK, Kim CK, Lee HW, Lee I
2561 - 2571	Topological characterization of three-electron-bonded radical anions Fourre I, Silvi B, Sevin A, Chevreau H
2572 - 2579	Oxygen atom reactions with circumtrindene and related molecules: Analogues for the oxidation of nanotube caps Steckel JA, Jordan KD, Avouris P
2580 - 2591	Intersecting conical intersection seams: Their location, representation, and effect on local topography Matsika S, Yarkony DR
2592 - 2597	The valence bond study for benzenoid hydrocarbons of medium to infinite sizes Gao Y, Liu CG, Jiang YS
2598 - 2613	Flexible transition state theory for a variable reaction coordinate: Analytical expressions and an application Robertson S, Wagner AF, Wardlaw DM
2614 - 2616	Quantum mechanical study of stabilization of germaneselones Liao HY, Su MD, Chu SY
2617 - 2622	ENDOR study of N-14 hyperfine and quadrupole couplings of N2D4 center dot+ formed in deuterated Li(N2H5)SO4 single crystal Itagaki Y, Sanderud A, Sagstuen E, Lund A
2623 - 2628	A theoretical analysis of enantiomerization in aromatic amides Campomanes P, Menendez MI, Sordo TL
2629 - 2640	BAC-G2 predictions of thermochemistry for gas-phase aluminum compounds Allendorf MD, Melius CF, Cosic B, Fontijn A
2641 - 2651	Experimental and theoretical investigation of the reactions between glucose and Cu+ in the gas phase Alcami M, Luna A, Mo O, Yanez M, Boutreau L, Tortajada J
2652 - 2658	Theoretical study on the weakly-bound complexes in the reactions of hydroxyl radical with saturated hydrocarbons (methane, ethane, and propane) Hashimoto T, Iwata S
2659 - 2670	Theoretical calculations on the torsion potential of peroxynitrite anion in aqueous solution Nagy PI
2671 - 2675	The equilibrium geometry, harmonic vibrational frequencies, and estimated ab initio limit for the barrier to planarity of the ethylene radical cation Abrams ML, Valeev EF, Sherrill CD, Crawford TD
2676 - 2684	Theoretical analysis of the CH stretching overtone vibration of 1,2-dichloroethylene Takahashi K, Sugawara M, Yabushita S
2685 - 2694	Configuration interaction study of the low-lying electronic states of GaBi Chattopadhyay A, Chattopadhyaya S, Das KK
2695 - 2706	Theoretical study on the mechanists of the (CHF)-C-1+N2O reaction Liu JJ, Ding YH, Feng JK, Sun CC
2707 - 2720	Fundamental properties and nature of CH center dot center dot O interactions in crystals on the basis of experimental and theoretical charge densities. The case of 3,4-bis(dimethylamino)-3-cyclobutene-1,2-dione (DMACB) crystal Gatti C, May E, Destro R, Cargnoni F
2721 - 2726	Valence bond configuration interaction: A practical ab initio valence bond method that incorporates dynamic correlation Wu W, Song LC, Cao ZX, Zhang Q, Shaik S
2727 - 2747	On the enthalpy of formation of hydroxyl radical and gas-phase bond dissociation energies of water and hydroxyl Ruscic B, Wagner AF, Harding LB, Asher RL, Feller D, Dixon DA, Peterson KA, Song Y, Qian XM, Ng CY, Liu JB, Chen WW
2748 - 2752	Theoretical prediction on the synthesis reaction pathway of N-6 (C-2h) Wang LJ, Warburton P, Mezey PG
2753 - 2759	DFT calculations of Sn-119 chemical shifts using gauge-including atomic orbitals and their interpretation via group properties Vivas-Reyes R, De Proft F, Biesemans M, Willem R, Geerlings P
2760 - 2765	Aqueous solubility-molecular size relationships: A mechanistic case study using C-10- to C-19-alkanes Tolls J, van Dijk J, Verbruggen EJM, Hermens JLM, Loeprecht B, Schuurmann G
2766 - 2776	Photochemistry of 2'-hydroxychalcone. One-way cis-traps photoisomeriaation induced by adiabatic intramolecular hydrogen atom transfer Norikane Y, Itoh H, Arai T