화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.16 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (58 articles)

3235 - 3237 Production of an alcohol-based hydrogen storing polymer
Matsuura H, Tanikawa T, Takaba H, Fujiwara Y
3238 - 3243 Excited-state distortion of rhenium(III) sulfide and selenide clusters
Gray TG, Rudzinski CM, Meyer EE, Nocera DG
3244 - 3252 Dynamic fluorescence probing of the microenvironment of sodium dodecyl sulfate micelle solutions: Surfactant concentration dependence and solvent isotope effect
Shirota H, Tamoto Y, Segawa H
3253 - 3260 Using three-pulse femtosecond spectroscopy to probe ultrafast triplet energy transfer in zinc meso-tetraarylporphyrin-perylene-3,4-dicarboximide dyads
Hayes RT, Walsh CJ, Wasielewski MR
3261 - 3267 Femtosecond pump-probe spectroscopy of trinuclear transition metal mixed-valence complexes
Watson DF, Tan HS, Schreiber E, Mordas CJ, Bocarsly AB
3268 - 3275 Vibrational energy relaxation of S-1 perylene in solution
Kasajima T, Akimoto S, Sato S, Yamazaki I
3276 - 3280 Time-resolved EPR and transient absorption studies on phthalocyaninatosilicon covalently linked to two PROXYL radicals
Takeuchi S, Ishii K, Kobayashi N
3281 - 3291 Electronic structure, photophysics, and relaxation dynamics of charge transfer excited states in boron-nitrogen-bridged ferrocene-donor organic-acceptor compounds
Thomson MD, Novosel M, Roskos HG, Muller T, Scheibitz M, Wagner M, de Biani FF, Zanello P
3292 - 3303 Self-exchange electron transfer kinetics and reduction potentials for anthraquinone disulfonate
Rosso KM, Smith DMA, Wang ZM, Ainsworth CC, Fredrickson JK
3304 - 3307 Binding energy and intermolecular vibrations of neutral and ionized p-fluorotoluene center dot Ar cluster by mass analyzed threshold ionization
Georgiev S, Chakraborty T, Neusser HJ
3308 - 3314 Experimental and theoretical electron magnetic resonance study on radiation-induced radicals in alpha-L-sorbose single crystals
Vanhaelewyn GCAM, Jansen B, Pauwels E, Sagstuen E, Waroquier M, Callens FJ
3315 - 3323 8-phenyl-substituted dipyrromethene center dot BF2 complexes as highly efficient and photostable laser dyes
Garcia-Moreno I, Costela A, Campo L, Sastre R, Amat-Guerri F, Liras M, Arbeloa FL, Prieto JB, Arbeloa IL
3324 - 3337 Infrared spectroscopy of aqueous carboxylic acids: Comparison between different acids and their salts
Max JJ, Chapados C
3338 - 3343 Structure and hydrogen bonding of different isomers of 2-aminopyridine center dot NH3 studied by IR/R2PI spectroscopy
Wu RH, Vaupel S, Nachtigall P, Brutschy B
3344 - 3349 Ion-solvent interactions in acetonitrile solutions of lithium iodide and tetrabutylammonium iodide
Mollner AK, Brooksby PA, Loring JS, Bako I, Palinkas G, Fawcett WR
3350 - 3355 Reductive nitrile coupling in niobium-acetonitrile complexes probed by free electron laser IR multiphoton dissociation spectroscopy
Reinhard BM, Lagutschenkov A, Lemaire J, Maitre P, Boissel P, Niedner-Schatteburg G
3356 - 3366 Effects of aromatic substitutions on the photoreactions in Mg center dot+(C6HnF2X4-n) (X = F, CH3) complexes: Formation and decomposition of benzyne radical cations
Liu HC, Zhang XH, Wang CS, Guo WY, Wu YD, Yang SH
3367 - 3372 Structural issues in conjugated hydrocarbons: High-resolution infrared slit-jet spectroscopy of trans-1,3-butadiene
Halonen M, Halonen L, Nesbitt DJ
3373 - 3379 Matrix-isolation infrared and theoretical study of the reaction of VCl4 with CH3OH
Sabestinas D, Ault BS
3380 - 3389 Photochemistry and vibrational spectroscopy of the trans and cis conformers of acetic acid in solid Ar
Macoas EMS, Khriachtchev L, Fausto R, Rasanen M
3390 - 3395 Matrix isolation infrared spectroscopic and theoretical study of the reactions of beryllium atoms with methanol
Huang ZG, Chen MH, Zhou MF
3396 - 3402 Infrared spectra of thallium hydrides in solid neon, hydrogen, and argon
Wang XF, Andrews L
3403 - 3405 Speciation of C6H6 isomers by gas chromatography-matrix isolation Fourier transform infrared spectroscopy-mass spectrometry
Anderson KB, Tranter RS, Tang WY, Brezinsky K, Harding LB
3406 - 3415 Shock tube study of thermal rearrangement of 1,5-hexadiyne over wide temperature and pressure regime
Tranter RS, Tang WY, Anderson KB, Brezinsky K
3416 - 3420 Effect of sorbic alcohol on the radiolysis of aromatic compounds in aqueous solution
Du YK, Goldstein S, Rabani J
3421 - 3429 Magnetic field effects on the photodissociation reaction of triarylphosphine in nonviscous homogeneous solutions
Sakaguchi Y, Hayashi H
3430 - 3438 Decomposition, isomerization, and ring expansion in 2-methylindene: Single-pulse shock tube and modeling study
Lifshitz A, Tamburu C, Suslensky A, Dubnikova F
3439 - 3446 Acidity of a nucleotide base: Uracil
Miller TM, Arnold ST, Viggiano AA, Miller AES
3447 - 3456 Low-temperature kinetics of the charge-and atom-transfer reactions (Br+, HBr+ [(2)Pi(i), (+)(nu)], DBr+ [(2)Pi(i) ,(+)(nu)]) + (HBr, DBr) -> (HBr+, DBr+, H2Br+, D2Br+, HDBr+)
Belikov AE, Smith MA
3457 - 3466 Experimentally determined thermochemical properties of the malonic acid/water system: Implications for atmospheric aerosols
Hansen AR, Beyer KD
3467 - 3470 Photooxidation of glycylglycine. Two-channel reaction mechanism as studied by time-resolved FT EPR
Tarabek P, Bonifacic M, Beckert D
3471 - 3477 Temperature and solvent effects on the reactions of o-positronium with nitroso spin traps in methanol-water mixed solvents
Levay B, Boros M
3478 - 3484 The origin of base catalysis in the (OH)-O-center dot oxidation of phenols in water
Tripathi GNR, Su YL
3485 - 3492 Solvent switching between charge transfer and intraligand excited states in a multichromophoric platinum(II) complex
Pomestchenko IE, Castellano FN
3493 - 3498 Nitroacetylene: Computed heats of formation and analysis of reaction mechanisms with vinyl ethers
Politzer P, Lane P, Concha MC
3499 - 3508 Electron affinities and reductive dechlorination of toxic polychlorinated dibenzofurans: A density functional theory study
Arulmozhiraja S, Morita M
3509 - 3517 Electronic structure, isomerism, and chemical bonding in B-7(-) and B-7
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS
3518 - 3526 Molecular and electronic structure in the metal-to-ligand charge transfer excited states of fac-[Re(4,4'-X(2)bpy)(CO)(3)(4-Etpy)](+)* (X = CH3, H, Co2Et). Application of density functional theory and time-resolved infrared spectroscopy
Dattelbaum DM, Martin RL, Schoonover JR, Meyer TJ
3527 - 3536 Defining electronic excited states using time-resolved infrared spectroscopy and density functional theory calculations
Dattelbaum DM, Omberg KM, Hay PJ, Gebhart NL, Martin RL, Schoonover JR, Meyer TJ
3537 - 3544 Development of a theoretical model of nickel(II) tris(oxime)amine dichloride with comparison to X-ray crystallography and vibrational spectroscopy
Jones RM, Baldwin MJ
3545 - 3555 Density functional vertical self-consistent reaction field theory for solvatochromism - Studies of solvent-sensitive dyes
Liu TQ, Han WG, Himo F, Ullmann GM, Bashford D, Toutchkine A, Hahn KM, Noodleman L
3556 - 3564 Dynamics study of the N(S-4)+O-2 reaction and its reverse
Caridade PJBS, Varandas AJC
3565 - 3571 Radicals derived from adenine: Prediction of large electron affinities with a considerable spread
Evangelista FA, Paul A, Schaefer HF
3572 - 3580 Accurate calculations of ligand binding free energies: Chiral separation with enantioselective receptors
Hayes JM, Stein M, Weiser J
3581 - 3585 Two-center three-electron bonding involving tellurium
King JE, Illies AJ
3586 - 3592 An efficient method based on lattice construction and the genetic algorithm for optimization of large Lennard-Jones clusters
Xiang YH, Jiang HY, Cai WS, Shao XG
3593 - 3597 Tautomeric and conformational properties of methyl acetoacetate, CH3OC(O)-CH2-C(O)CH3: Electron diffraction and quantum chemical study
Belova NV, Oberhammer H, Girichev GV
3598 - 3614 Novel interhalogen molecules: Structures, thermochemistry, and electron affinities of dibromine fluorides Br2Fn/Br2Fn- (n=1-6)
Gong LF, Li QS, Xu WG, Xie YM, Schaefer HF
3615 - 3622 NCCN and NCCCCN formation in Titan's atmosphere: 1. Competing reactions of precursor HCCN ((3)A'') with H (S-2) and CH3 ((2)A')
Osamura Y, Petrie S
3623 - 3631 NCCN and NCCCCN formation in Titan's atmosphere: 2. HNC as a viable precursor
Petrie S, Osamura Y
3632 - 3641 Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model
Kongsted J, Pedersen TB, Osted A, Hansen AE, Mikkelsen KV, Christiansen O
3642 - 3649 Ab-initio and DFT study of the molecular mechanisms of SO3 and SOCl2 reactions with water in the gas phase
Ignatov SK, Sennikov PG, Razuvaev AG, Schrems O
3650 - 3661 Ab initio studies on metal-metal interaction and (3)[sigma*(d)sigma(s)] excited state of the binuclear Au(I) complexes formed by phosphine and/or thioether ligands
Pan QJ, Zhang HX
3662 - 3667 Computed spin-spin coupling constants ((1)J(X-Y)) in molecules HmX-YHn for X and Y = C-13, N-15, and P-31: Comparisons with experiment and insights into the signs of (1)J(X-Y)
Del Bene JE, Elguero J, Alkorta B
3668 - 3674 The generation of the thiocyanate radical and cation from the thiocyanate anion [SCN](-) in the gas phase. The rearrangements of neutral and cationic SCN. A joint experimental and theoretical study
Fitzgerald M, Bowie JH
3675 - 3687 Electron transfer in a flexible, tethered donor-acceptor pair: The influence of solute conformation on solvent-dependent free energies
Kauffman JF, Khajehpour M, Saleh N
3688 - 3691 Thermochemistry of gaseous species in the Dy-Br and Dy-I systems
Hildenbrand DL, Lau KH, Baglio JW, Struck CW
3692 - 3694 Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+
Palascak MW, Shields GC