화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.5 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (21 articles)

593 - 597 Velocity distributions of SiF and SiF2 in an SiF4 plasma molecular beam
Zhang JM, Williams KL, Fisher ER
598 - 610 Electron spin-lattice relaxation processes of radicals in irradiated crystalline organic compounds
Harbridge JR, Eaton SS, Eaton GR
611 - 620 Effects of solvent and structural dynamics on electron transfer reactions of 4-aminonaphthalene-1,8-dicarboximide donor-acceptor molecules in nematic liquid crystals and isotropic solvents
Sinks LE, Wasielewski MR
621 - 631 Nonadiabatic dynamics: A comparison of surface hopping direct dynamics with quantum wavepacket calculations
Worth GA, Hunt P, Robb MA
632 - 641 Solute dependence of three pulse photon echo peak shift measurements in methanol solution
Nagasawa Y, Watanabe A, Takikawa H, Okada T
642 - 650 IR spectroscopy of OP-X and derivatives: Mistaken identity on a large scale
Robertson EG, McNaughton D
651 - 661 The nitric acid hydrates: Ab initio molecular study, and RAIR spectra of the solids
Escribano R, Couceiro M, Gomez PC, Carrasco E, Moreno MA, Herrero VJ
662 - 667 Spectroscopic characteristics of pentacene in Shpol'skii matrixes
Banasiewicz M, Deperasinska I, Kozankiewicz B
668 - 675 Enthalpy barriers for asymmetric S(N)2 alkyl cation transfer reactions between neutral and protonated alcohols
Fridgen TD, McMahon TB
676 - 681 Reaction of peroxyl radicals with ozone in water
Lind J, Merenyi G, Johannson E, Brinck T
682 - 694 Systematic comparisons between broken symmetry and symmetry-adapted approaches to transition states by chemical indices: A case study of the Diels-Alder reactions
Isobe H, Takano Y, Kitagawa Y, Kawakami T, Yamanaka S, Yamaguchi K, Houk KN
695 - 705 Response reactions: A mathematical well-defined way to obtain accurate thermochemistry from ab initio calculations
Fishtik I, Datta R, Liebman JF
706 - 711 Theoretical analysis and numerical simulation of intramolecular barriers in polyphenyl-based molecular devices
Girlanda M, Macucci M
712 - 719 Electric quadrupole and hexadecapole moment, dipole and quadrupole polarizability, second electric dipole hyperpolarizability for P-2, and a comparative study of molecular polarization in N-2, P-2, and As-2
Maroulis G, Xenides D
720 - 725 Theoretical study of molecular structure and gas-phase acidity of some biologically active sulfonamides
Remko M
726 - 735 A solid-state multinuclear magnetic resonance investigation of hexamethylborazine
Forgeron MAM, Bryce DL, Wasylishen RE, Rosler R
736 - 744 Implicit zero-point vibration energy and thermal corrections in rapid estimation of enthalpies of formation from Hartree-Fock total energy and partial charges
Ruzsinszky A, Van Alsenoy C, Csonka GL
745 - 752 Reactivities of some electrogenerated organic cation radicals in room-temperature ionic liquids: Toward an alternative to volatile organic solvents?
Lagrost C, Carrie D, Vaultier M, Hapiot P
753 - 757 Precise equilibrium constants from spectrophotometric data: BrCl in Br-2/Cl-2 gas mixtures
Tellinghuisen J
758 - 769 Structural XAFS investigation of Eu2+ and Sr2+ poly(amino carboxylates): Consequences for water exchange rates on MRI-relevant complexes
Moreau G, Burai L, Helm L, Purans J, Merbach AE
770 - 770 Electronic communication in fullerene dimers. Electrochemical and electron paramagnetic resonance study of the reduction of C120O (vol 100, pg 4825, 1996)
Balch AL, Costa DA, Fawcett WR, Winkler K