화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Thermal rearrangement of ethynylarenes to cyclopentafused polycyclic aromatic hydrocarbons: An electronic structure study
Cioslowski J, Schimeczek M, Piskorz P, Moncrieff D
Journal of the American Chemical Society, 121(15), 3773, 1999
2 Computationally inexpensive theoretical thermochemistry
Cioslowski J, Liu GH, Piskorz P
Journal of Physical Chemistry A, 102(48), 9890, 1998
3 Diversity of bonding in methyl ate anions of the first- and second-row elements
Cioslowski J, Piskorz P, Schimeczek M, Boche G
Journal of the American Chemical Society, 120(11), 2612, 1998
4 Electronic structure studies of 1,2-didehydrogenation of arenes and rearrangement of arynes to annelated cyclopentadienylidenecarbene
Cioslowski J, Piskorz P, Moncrieff D
Journal of the American Chemical Society, 120(8), 1695, 1998
5 Accurate Analytical Representations of the Core-Electron Densities of the Elements 3 Through 118
Cioslowski J, Piskorz P, Rez P
Journal of Chemical Physics, 106(9), 3607, 1997
6 Ionization potentials and electron affinities from the extended Koopmans' theorem applied to energy-derivative density matrices: The EKTMPn and EKTQCISD methods
Cioslowski J, Piskorz P, Liu GH
Journal of Chemical Physics, 107(17), 6804, 1997
7 Regularities in Energies and Geometries of Biaryls - An Ab-Initio Electronic-Structure Study
Cioslowski J, Piskorz P, Liu GH, Moncrieff D
Journal of Physical Chemistry, 100(50), 19333, 1996
8 Energetics and Site-Specificity of the Homolytic C-H Bond-Cleavage in Benzenoid Hydrocarbons - An Ab-Initio Electronic-Structure Study
Cioslowski J, Liu GH, Martinov M, Piskorz P, Moncrieff D
Journal of the American Chemical Society, 118(22), 5261, 1996