Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (42 articles)

2131 - 2133	Ab initio structures for 90 degrees-twisted s-trans-1,3-butadiene and cyclooctatetraene: The naked sp(2)-sp(2) bond Feller D, Craig NC, Matlin AR
2134 - 2143	Determination of complex reaction mechanisms. Analysis of chemical, biological and genetic networks Ross J
2144 - 2161	HCl hydrates as model systems for protonated water Buch V, Dubrovskiy A, Mohamed F, Parrinello M, Sadlej J, Hammerich AD, Devlin JP
2162 - 2176	Quantum dynamics of electronic excitations in biomolecular chromophores: Role of the protein environment and solvent Gilmore J, McKenzie RH
2177 - 2181	EPR line shifts and line shape changes due to spin exchange of nitroxide-free radicals in liquids 4. Test of a method to measure re-encounter rates in liquids employing N-15 and N-14 nitroxide spin probes Bales BL, Meyer M, Smith S, Peric M
2182 - 2191	The solvation of Mg2+ with gas-phase clusters composed of alcohol molecules Wu B, Duncombe BJ, Stace AJ
2192 - 2205	Dynamics of hyperthermal collisions of O(P-3) with CO Brunsvold AL, Upadhyaya HP, Zhang J, Cooper R, Minton TK
2206 - 2210	Photoinduced electron transfer in coaggregates of dicyanonaphthalene and pyrazoline Shen FG, Peng AD, Chen Y, Dong Y, Jiang ZW, Wang YB, Fu HB, Yao JN
2211 - 2218	A DFT perspective on the structures and electronic spectra of the orange and blue isomers of photochromic dithizonatophenylmercury(II) von Eschwege KG, Conradie J, Swarts JC
2219 - 2227	Pronounced non-condon effect as the origin of the quantum beat observed in the time-resolved absorption signal from excited-state cis-stilbene Ishii K, Takeuchi S, Tahara T
2228 - 2234	HeI photoelectron spectra and valence synchrotron photoionization for XC(O)SCl (X = F, Cl) compounds Gerones M, Erben MF, Romano RM, Della Vedova CO, Yao L, Ge MF
2235 - 2241	Theoretical study of the structural and electronic properties of SimGen and SimGen- (s=m+n <= 7) clusters Bing D, Nguyen QC, Fan XF, Kuo JL
2242 - 2247	Spectroscopic studies of solutes in aqueous solution Chai BH, Zheng JM, Zhao Q, Pollack GH
2248 - 2257	Infrared multiphoton dissociation spectroscopy of cationized serine: Effects of alkali-metal cation size on gas-phase conformation Armentrout PB, Rodgers MT, Oomens J, Steill JD
2258 - 2267	Infrared multiphoton dissociation spectroscopy of cationized threonine: Effects of alkali-metal cation size on gas-phase conformation Rodgers MT, Armentrout PB, Oomens J, Steiw JD
2268 - 2281	Conformational stability from variable temperature FT-IR spectra of krypton solutions, r(0) structural parameters, vibrational assignment, and ab initio calculations of 4-fluoro-1-butene Guirgis GA, Yu Z, Zheng C, Zhou SX, Durig JR
2282 - 2292	Structure of solvated Fe(CO)(5): Complex formation during solvation in alcohols Lessing J, Li X, Lee T, Rose-Petruck CG
2293 - 2310	3s Rydberg and cationic states of pyrazine studied by photoelectron spectroscopy Oku M, Hou Y, Xing X, Reed B, Xu H, Chang C, Ng CY, Nishizawa K, Ohshimo K, Suzuki T
2311 - 2321	Quasi-steady-state laws in enzyme kinetics Li BH, Shen YF, Li B
2322 - 2330	Excited singlet states of covalently bound, cofacial dimers and trimers of perylene-3,4 : 9,10-bis(dicarboximide)s Giaimo JM, Lockard JV, Sinks LE, Scott AM, Wilson TM, Wasielewski MR
2331 - 2338	Spectroscopic and theoretical study of the electronic structure of curcumin and related fragment molecules Galasso V, Kovac B, Modelli A, Ottaviani MF, Pichierri F
2339 - 2354	Study of the valence wave function of thiophene with high resolution electron momentum spectroscopy and advanced dyson orbital theories Huang YR, Hajgato B, Ning CG, Zhang SF, Liu K, Luo ZH, Deng JK, Deleuze MS
2355 - 2361	Strong slowing down of water reorientation in mixtures of water and tetramethylurea Rezus YLA, Bakker HJ
2362 - 2369	Role of phenyl radicals in the growth of polycyclic aromatic hydrocarbons Shukla M, Susa A, Miyoshi A, Koshi M
2370 - 2377	Kinetics of heterogeneous reactions of HO2 radical at ambient concentration levels with (NH4)(2)SO4 and NaCl aerosol particles Taketani F, Kanaya Y, Akimoto H
2378 - 2385	Hygroscopic growth of multicomponent aerosol particles influenced by several cycles of relative humidity Rosenoern T, Schlenker JC, Martin ST
2386 - 2396	N2O5 reactive uptake on aqueous sulfuric acid solutions coated with branched and straight-chain insoluble organic surfactants Cosman LM, Knopf DA, Bertram AK
2397 - 2407	Role of the antenna in tissue selective probes built of lanthanide-organic chelates Hess BA, Kedziorski A, Smentek L, Bornhop DJ
2408 - 2414	Theoretical study of neutral, anionic, and cationic uracil-Ag and uracil-Au systems: Nonconventional hydrogen bonds Valdespino-Saenz J, Martinez A
2415 - 2422	Optical rotatory dispersion of 2,3-hexadiene and 2,3-pentadiene Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Jorgensen WL, Crawford TD, Abrams ML, Cheeseman JR, Luderer M
2423 - 2427	Theoretical study of the [2+2+2+1] cycloaddition mechanism of enediynes and carbon monoxide catalyzed by rhodium Montero-Campillo MM, Rodriguez-Otero J, Cabaleiro-Lago E
2428 - 2436	Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution Buehl M, Sieffert N, Golubnychiy V, Wipff G
2437 - 2446	Role of s-p orbital mixing in the bonding and properties of second-period diatomic molecules Bickelhaupt FM, Nagle JK, Klemm WL
2447 - 2455	Superoxide radical anion adduct of 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 3. Effect of mildly acidic pH on the thermodynamics and kinetics of adduct formation Burgett RA, Bao XF, Villamena FA
2456 - 2463	Novel 1,3-dipolar cycloadditions of dinitraminic acid: Implications for the chemical stability of ammonium dinitramide Rahm M, Brinck T
2464 - 2468	Comparative quantum mechanics/molecular mechanics (QM/MM) and density functional theory calculations on the oxo-iron species of taurine/alpha-ketoglutarate dioxygenase Godfrey E, Porro CS, de Visser SP
2469 - 2476	Electrostatic and covalent contributions in the coordination bonds of transition metal complexes Xiong ZH, Liu Y, Sun H
2477 - 2481	Theoretical study on the structure and stability of some unusual boron-nitrogen helices Szakacs CE, Mezey PG
2482 - 2488	DFT-Based linear solvation energy relationships for the infrared spectral shifts of acetone in polar and nonpolar organic solvents Chang CM
2489 - 2496	Density embedded VB/MM: A hybrid ab initio VB/MM with electrostatic embedding Sharir-Ivry A, Crown HA, Wu W, Shurki A
2497 - 2502	Electronic band structure of tetracene-TCNQ and perylene-TCNQ compounds Shokaryev I, Buurma AJC, Jurchescu OD, Uijttewaal MA, de Wijs GA, Palstra TTM, de Groot RA
2503 - 2506	Strain in biphenylene and some of its derivatives Novak I