Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

5555 - 5565	Fluorescence spectroscopy and amplified spontaneous emission (ASE) of phenylimidazoles: Predicted vibronic coupling along the excited-state intramolecular proton transfer in 2-(2'-hydroxyphenyl)imidazoles del Valle JC, Claramunt RA, Catalan J
5566 - 5572	Time-dependent density functional theory as a tool for isomer assignments of hydrogen-bonded solute.solvent clusters Thut M, Tanner C, Steinlin A, Leutwyler S
5573 - 5581	A two-dimensional wavepacket study of the nonadiabatic dynamics of CH2BrCl Rozgonyi T, Gonzalez L
5582 - 5592	Threshold photoionization and density functional theory studies of the niobium carbide clusters Nb3Cn (n=1-4) and Nb4Cn (n=1-6) Dryza V, Addicoat MA, Gascooke JR, Buntine MA, Metha GF
5593 - 5597	Molecular dynamics simulations of perylene and tetracene librations: Comparison with femtosecond upconversion data Rosales T, Xu JH, Wu XW, Hodoseek M, Callis P, Brooks BR, Knutson JR
5598 - 5603	Quantitative distinction between competing intramolecular bond twisting and solvent relaxation dynamics: An ultrafast study Singh PK, Nath S, Kumbhakar M, Bhasikuttan AC, Pal H
5604 - 5612	Photophysics of (1-Butyl-4-(1H-inden-1-ylidene)-1,4-dihydropyridine (BIDP): An experimental test for conical intersections Cogan S, Kahan A, Zilberg S, Haas Y
5613 - 5620	Infrared matrix isolation study of the thermal and photochemical reactions of ozone with dimethylzinc Varma P, Ault BS
5621 - 5627	Solvation of propylene oxide in water: Vibrational circular dichroism, optical rotation, and computer simulation studies Losada M, Nguyen P, Xu YJ
5628 - 5635	Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-terphenyl cluster anions: The effect of molecular shape on molecular assembly and ion core character Mitsui M, Ando N, Nakajima A
5636 - 5646	Time-resolved cavity ringdown measurements and kinetic modeling of the pressure dependences of the recombination reactions of SiH2 with the alkenes C2H4, C3H6, and t-C4H8 Friedrichs G, Fikri M, Guo Y, Temps F
5647 - 5652	TPEPICO spectroscopy of vinyl chloride and vinyl iodide: Neutral and ionic heats of formation and bond energies Shuman NS, Ochieng MA, Sztaray B, Baer T
5653 - 5657	On the photophysics of polyenes. 1. Bathochromic shifts in their 1Ag -> 1Bu electronic transitions caused by the polarizability of the medium Catalan J, Hopf H, Klein D, Martus M
5658 - 5669	Separation and complete analyses of the overlapped and unresolved H-1 NMR spectra of enantiomers by spin selected correlation experiments Prabhu UR, Baishya B, Suryaprakash N
5670 - 5675	Matrix isolation infrared spectroscopic and theoretical study of the hydrolysis of boron dioxide in solid argon Gong Y, Zhou MF
5676 - 5683	Theoretical investigation of the Fe+-catalyzed oxidation of acetylene by N2O Zhao LM, Wang Y, Guo WY, Shan HH, Lu XQ, Yang T
5684 - 5690	Efficient computational methods for accurately predicting reduction potentials of organic molecules Speelman AL, Gillmore JG
5691 - 5699	Conformational study of eugenol by density functional theory method and matrix-isolation infrared spectroscopy Ollbert-Majkut A, Wierzejewska M
5700 - 5711	Probing the molecular and electronic structure of capsaicin: A spectroscopic and quantum mechanical study Alberti A, Galasso V, Kovac B, Modelli A, Pichierri F
5712 - 5719	High-stability hydrogenated silicon-carbon clusters: A full study of Si2C2H2 in comparison to Si2C2, C2B2H4, and other similar species Zdetsis AD
5720 - 5726	DFT study on isomerization and decomposition of cuprous dialkyldithiophosphate and its reaction with alkylperoxy radical Luo Y, Maeda S, Ohno K
5727 - 5733	On the accuracy of computed excited-state dipole moments King RA
5734 - 5741	Enthalpies of formation of hydrocarbons by hydrogen atom counting. Theoretical implications Zavitsas AA, Matsunaga N, Rogers DW
5742 - 5748	Prediction of the equilibrium structures and photomagnetic properties of the Prussian blue analogue RbMn[Fe(CN)(6)] by density functional theory Luzon J, Castro M, Vertehnan EJM, Gengler RYN, van Koningsbruggen PJ, Molodtsova O, Knupfer M, Rudolf P, van Loosdrecht PHM, Broer R
5749 - 5755	Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters Perez JF, Florez E, Hadad CZ, Fuentealba P, Restrepo A
5756 - 5769	Adiabatic states derived from a spin-coupled diabatic transformation: Semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+ Valero R, Truhlar DG, Jasper AW