화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.48 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (26 articles)

10753 - 10758 Dehydrogenation reaction from a dihydrogen bonded precursor complex in the gas phase
Patwari GN, Ebata T, Mikami N
10759 - 10775 Beyond classical stoichiometry: Experiment and theory
Boldyrev AI, Wang LS
10776 - 10780 Electron spin polarization transfer and radical-triplet pair polarization in nitroxide-C-60 derivative systems
Sartori E, Toffoletti A, Corvaja C, Garlaschelli L
10781 - 10790 Reactivity and anisotropic interaction of 1,3,5-C6H3F3 and C6F6 with He*(2(3)S) atoms: Comparison with mono- and di-fluorobenzenes
Imura K, Kishimoto N, Ohno K
10791 - 10799 Scaling laws for strongly anharmonic vibrational matrix elements
Child MS, Jacobson MP, Cooper CD
10800 - 10806 Ab initio calculation and multiphoton ionization studies of pyrimidine-(methanol)(n) clusters
Zhang BL, Cai Y, Mu XL, Lou NQ, Wang XY
10807 - 10815 Solvent effects on trans/gauche conformational equilibria of substituted chloroethanes: a polarizable continuum model study
Cappelli C, Corni S, Tomasi J
10816 - 10821 A Gaussian-2 and Gaussian-3 study of alkoxide anion decompositions. 2. Alkane eliminations of (CH3)(2)(C2H5)CO- and (i-Pr)(C2H5)(2)CO-
Lau JKC, Li WK, Chiu SW
10822 - 10831 Naphthyl radical: Negative ion photoelectron spectroscopy, Franck-Condon simulation, and thermochemistry
Ervin KM, Ramond TM, Davico GE, Schwartz RL, Casey SM, Lineberger WC
10832 - 10838 UV-induced photoisomerization of acetylacetone and identification of less-stable isomers by low-temperature matrix-isolation infrared spectroscopy and density functional theory calculation
Nagashima N, Kudoh S, Takayanagi M, Nakata M
10839 - 10845 Spectroscopy of hydrothermal solutions 18: pH-dependent kinetics of itaconic acid reactions in real time
Li J, Brill TB
10846 - 10853 Low quantum yields of electron-transfer reaction of photoexcited Ru(bpydc)(3)(4-) with Co(tpy)(2)(3+) and methyl viologen(2+) (bpydc : 2,2'-bipyridine-4,4'-dicarboxylate and tpy : 2,2': 6',2''-terpyridine)
Yoshimura A, Uddin MJ, Amasaki N, Ohno T
10854 - 10859 Kinetics and mechanisms for the reactions of CF3OCH3 and CF3OC(O)H with OH radicals using an environmental reaction chamber
Chen L, Kutsuna S, Nohara K, Takeuchi K, Ibusuki T
10860 - 10866 Kinetic modeling of the effect of H2S and of NH3 on toluene hydrogenation in the presence of a NiMo/Al2O3 hydrotreating catalyst. Discrimination between homolytic and heterolytic models
Blanchin S, Galtier P, Kasztelan S, Kressmann S, Penet H, Perot G
10867 - 10873 Cluster ion thermal decomposition (I): Experimental kinetics study and ab initio calculations for HSO4-(H2SO4)(x)(HNO3)(y)
Curtius J, Froyd KD, Lovejoy ER
10874 - 10883 Cluster ion thermal decomposition (II): Master equation modeling in the low-pressure limit and fall-off regions. Bond energies for HSO4-(H2SO4)(x)(HNO3)(y)
Lovejoy ER, Curtius J
10884 - 10889 Hydrogen bonding in concentrated aqueous solutions of 1,2-dimethoxyethane: Formation of water clusters
Nickolov ZS, Goutev N, Matsuura H
10890 - 10898 Stereochemistry of radical halogenation reactions. An ab initio molecular orbital study
Li ZH, Fan KN, Wong MW
10899 - 10905 Studies on 6,6-disubstitution effects of the dpq in [Ru(bpy)(2)(dpq)](2+) with DFT method
Zheng KC, Wang JP, Peng WL, Liu XW, Yun FC
10906 - 10914 Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds
Toh JSS, Jordan MJT, Husowitz BC, Del Bene JE
10915 - 10921 Electronic, structural, and hyperfine interaction investigations on Rydberg molecules: NH4, OH3, and FH2
Chen FW, Davidson ER
10922 - 10928 Ab initio calculation of amide carbonyl stretch vibrational frequencies in solution with modified basis sets. 1. N-methyl acetamide
Kubelka J, Keiderling TA
10929 - 10942 Hydration of valine-cation complexes in the gas phase: On the number of water molecules necessary to form a zwitterion
Jockusch RA, Lemoff AS, Williams ER
10943 - 10945 Comment on the electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene
Nguyen MT, Chandra AK, Uchimaru T, Sakai S
10946 - 10946 Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene"
Karadakov PB, Cooper DL
10947 - 10948 Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene"
Harcourt RD