Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

5349 - 5352	Differential and integral cross sections for the H+O-2 -> OH+O combustion reaction Honvault P, Lin SY, Xie DQ, Guo H
5353 - 5360	Femtosecond pump-probe transient absorption study of the photolysis of [Cp' Mo(CO)(3)](2) (Cp' = eta(5)-C5H4CH3): Role of translational and rotational diffusion in the radical cage effect Oelkers AB, Scatena LF, Tyler DR
5361 - 5369	Excited-state dynamics of donor-acceptor bridged systems containing a boron-dipyrromethene chromophore: Interplay between charge separation and reorientational motion Duvanel G, Banerji N, Vauthey E
5370 - 5381	Evidence for an intramolecular charge transfer state in 12'-apo-beta-caroten-12'-al and 8'-apo-beta-caroten-8'-al: Influence of solvent polarity and temperature Kopczynski M, Ehlers F, Lenzer T, Oum K
5382 - 5387	K-dependent predissociation dynamics of CS2 in the 210-216 nm region Chen J, Guo Y, Zhou XG, Shi Y, Liu SL, Ma XX
5388 - 5398	Entropy effects in the fragmentation of 1,1-dimethylhydrazine ions Boulanger AM, Rennie EE, Holland DMP, Shaw DA, Mayer PM
5399 - 5407	Multiple-frequency EPR spectra of two aqueous Gd3+ polyamino polypyridine carboxylate complexes: A study of high field effects Borel A, Laus S, Ozarowski A, Gateau C, Nonat A, Mazzanti M, Helm L
5408 - 5414	Tautomerism phenomenon of pyrazolo[3,4-b]quinoline: Spectroscopic and quantum mechanical studies Zapotoczny S, Danel A, Sterzel MT, Pilch M
5415 - 5421	Vibrational overtone spectroscopy of three-membered rings Hsieh S, Miller BJ, Sodergren AH, Kjaergaard HG
5422 - 5433	Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts Morales CM, Thompson WH
5434 - 5440	Overtone spectroscopy of sulfonic acid derivatives Lane JR, Kjaergaard HG, Plath KL, Vaida V
5441 - 5447	Resonance Raman de-enhancement caused by excited state mixed valence Wang XH, Valverde-Aguilar G, Weaver MN, Nelsen SF, Zink JI
5448 - 5458	Oxygenated interface on biomass burn tar balls determined by single particle scanning transmission X-ray microscopy Tivanski AV, Hopkins RJ, Tyliszczak T, Gilles MK
5459 - 5464	"Effective" negative surface tension: A property of coated nanoaerosols relevant to the atmosphere Chakraborty P, Zachariah MR
5465 - 5472	DFT and TD-DFT calculations on the electronic structures and spectroscopic properties of cyclometalated platinum(II) complexes Zhou X, Pan QJ, Xia BH, Li MX, Zhang HX, Tung AC
5473 - 5481	Investigation of the electronic spectra and excited-state geometries of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene) (PP) by the symmetry-adapted cluster configuration interaction (SAC-CI) method Saha B, Ehara M, Nakatsuji H
5482 - 5491	Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level Fleig T, Knecht S, Hattig C
5492 - 5498	Calculations of molecular properties in hybrid coupled-cluster and molecular mechanics approach Hammond JR, Valiev M, Dejong WA, Kowalski K
5499 - 5508	Electron density analyses of opioids: A comparative study Scheins S, Messerschmidt M, Morgenroth W, Paulmann C, Luger P
5509 - 5514	Complexes with N-H+-P hydrogen bonds: Structures, binding energies, and spin-spin coupling constants Del Bene JE
5515 - 5522	Theoretical study of low-spin, high-spin, and intermediate-spin states of [Fe-III(pap)(2)](+) (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of light-induced excited spin state trapping Ando H, Nakao Y, Sato H, Sakaki S
5523 - 5527	Molecular tailoring and prediction of strongly ferromagnetically coupled trimethylenemethane-based nitroxide diradicals Ali ME, Roy AS, Datta SN
5528 - 5535	TD-DFT investigation of diarylethene dyes with cyclopentene, dihydrothiophene, and dihydropyrrole bridges Perpete EA, Maurel F, Jacquemin D
5536 - 5543	Density functional studies on the effects of hydrogen bonding on the formation of a charge-transfer complex between p-benzoquinone and 2,6-dimethoxyphenol Bangal PR
5544 - 5548	Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells Kurashige Y, Nakajima T, Kurashige S, Hirao K, Nishikitani Y
5549 - 5556	Accurate evaluation of valence and low-lying rydberg states with standard time-dependent density functional theory Ciofini I, Adamo C
5557 - 5562	Nucleophilicity of indole derivatives: Activating and deactivating effects based on proton affinities and electron density properties Otero N, Mandado M, Mosquera RA
5563 - 5571	Vibrational corrections to magneto-optical rotation: A computational study Mort BC, Autschbach J
5572 - 5581	The hydrogen molecule in strong magnetic fields: Optimizations of anisotropic gaussian basis sets Kubo A
5582 - 5592	A two transition state model for radical-molecule reactions: Applications to isomeric branching in the OH-Isoprene reaction Greenwald EE, North SW, Georgievskii Y, Klippenstein SJ
5593 - 5598	Full dimensional quantum calculations of vibrational energies of N-methyl acetamide Kaledin AL, Bowman JM
5599 - 5606	Study of temperature effect on far-infrared spectra of liquid H2O and D2O by analytical theory and molecular dynamic simulations Zasetsky AY, Gaiduk VI