Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.101, No.47 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

8743 - 8761	Ultrafast X-ray and electron diffraction: Theoretical considerations BenNun M, Cao JS, Wilson KR
8762 - 8767	Accurate theoretical prediction of relative energy: Barriers to linearity, inversion, and internal rotation in polyatomic molecules Lee JS
8768 - 8777	Transient absorption and time-resolved Raman study of the photophysics of 4-phenylpyridine in solution Buntinx G, Naskrecki R, Didierjean C, Poizat O
8778 - 8782	Vibrational-rotational spectra of HNS, NSH, and their ions: A theoretical study Gersdorf P
8783 - 8787	Vibrational frequencies and conformational stability of 1,4-cyclohexanedione in the gas phase as studied by infrared and Raman spectroscopy and ab initio calculations Egawa T, delRosario A, Morris K, Laane J
8788 - 8792	Infrared spectroscopy of the C-4 anion: Reassignment of the 1699.8 cm(-1) band Szczepanski J, Vala M, Shen LN, Withey PA, Graham WRM
8793 - 8802	Reactions of laser-ablated cobalt atoms with O-2. Infrared spectra of cobalt oxides in solid argon Chertihin GV, Citra A, Andrews L, Bauschlicher CW
8803 - 8808	Study of consecutive biradicals from 2-hydroxy-2,12-dimethylcyclododecanone by TR-CIDNP, TREPR, and laser flash photolysis Morozova OB, Yurkovskaya AV, Tsentalovich YP, Sagdeev PZ, Wu T, Forbes MDE
8809 - 8816	Influence of molecular structure on the rate of intersystem crossing in flexible biradicals Tsentalovich YP, Morozova OB, Avdievich NI, Ananchenko GS, Yurkovskaya AV, Ball JD, Forbes MDE
8817 - 8821	Quantum dynamical rate constant for the H+O-3 reaction using a six-dimensional double many-body expansion potential energy surface Szichman H, Baer M, Varandas AJC
8822 - 8829	Peroxynitric acid decay mechanisms and kinetics at low pH Regimbal JM, Mozurkewich M
8830 - 8833	Temperature and pressure dependence of the rate constant for the ClO+NO2 reaction Percival CJ, Smith GD, Molina LT, Molina MJ
8834 - 8838	Rh(III)-photosensitized interconversion of norbornadiene and quadricyclane Sluggett GW, Turro NJ, Roth HD
8839 - 8843	FTIR and mass-spectrometric measurements of the rate constant for the C6H5+H-2 reaction Park J, Dyakov IV, Lin MC
8844 - 8852	Activation of peptide ions by blackbody radiation: Factors that lead to dissociation kinetics in the rapid energy exchange limit Price WD, Williams ER
8853 - 8860	Ground- and excited-state properties of molecular complexes between adenine and 2,7-diazapyrene and its N-methylated cations Becker HC, Broo A, Norden B
8861 - 8870	Structure of liquid N-methylacetamide: Temperature dependence of NMR chemical shifts and quadrupole coupling constants Ludwig R, Weinhold F, Farrar TC
8871 - 8876	Quantum chemical study of the different forms of nitric acid monohydrate Toth G
8877 - 8886	Dynamics of the four-atom BO+H-2->HBO+H reaction: Potential energy surface and reaction selectivity from QCT calculations Sogas J, Alberti M, Gimenez X, Sayos R, Aguilar A
8887 - 8901	Bond characterization of chromium-Fischer carbene complexes: A combined study of experiment and theory Wang CC, Wang Y, Liu HJ, Lin KJ, Chou LK, Chan KS
8902 - 8907	Excitation and stability of ultrahigh Rydberg states in stray electric fields Bellomo P, Farrelly D, Uzer T
8908 - 8913	Solid-state NMR and density functional investigation of carbon-13 shielding tensors in metal-olefin complexes Havlin R, McMahon M, Srinivasan R, Le HB, Oldfield E
8914 - 8925	Equilibrium geometries and electronic structure of iron-porphyrin complexes: A density functional study Rovira C, Kunc K, Hutter J, Ballone P, Parrinello M
8926 - 8931	Periodic Hartree-Fock study of LixTiS2, 0<=x<=1: The structural, plastic, and electronic effects of lithium intercalation in TiS2 Clerc DG, Poshusta RD, Hess AC
8932 - 8934	Rydberg states of H-4 Nelson MR, Cobb MG, Borkman RF
8935 - 8941	Application of isodesmic reactions to the calculation of the enthalpies of H center dot and OH center dot addition to DNA bases: Estimated heats of formation of DNA base radicals and hydrates Colson AO, Becker D, Eliezer I, Sevilla MD
8942 - 8948	Interaction of alkene radical cations with solvent molecules as described with density functional theory Mohr M, Zipse H, Marx D, Parrinello M
8949 - 8955	Successive OH binding energies of M(OH)(n)(+) for n=1-3 and M=Sc, Ti, V, Co, Ni, and Cu Ricca A, Bauschlicher CW
8956 - 8958	Molecular structure and C-O stretch frequencies of the cobalt carbonyls Co(CO)(n), n=1, 4, as studied by density functional theory Ryeng H, Gropen O, Swang O
8959 - 8963	Some hazards of electronegativity correlations Becerra R, Walsh R
8964 - 8965	Stirring effects and phase-dependent inhomogeneity in chemical oscillations: The Belousov-Zhabotinsky reaction in a CSTR -Comments Vanag VK
8966 - 8966	Stirring effects and phase-dependent inhomogeneity in chemical oscillations: The Belousov-Zhabotinsky reaction in a CSTR -Comments Menzinger M, Ali F