화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Analysis of the linear response function along the adiabatic connection from the Kohn-Sham to the correlated system
Savin A, Colonna F, Allavena M
Journal of Chemical Physics, 115(15), 6827, 2001
2 Ab initio calculations of carbonyl adsorption complexes at zeolitic Bronsted sites simulated by model clusters: Role of modeling
Kassab E, Jessri H, Allavena M, White D
Journal of Physical Chemistry A, 103(15), 2766, 1999
3 Ab-Initio Hartree-Fock Study of Bronsted Acidity at the Surface of Oxides
Nortier P, Borosy AP, Allavena M
Journal of Physical Chemistry B, 101(8), 1347, 1997
4 Conformational Dynamics of the Co-CO2 Complex in Argon Matrices .1. Thermodynamical Considerations Derived from the Observed Kinetics
Raducu V, Gauthierroy B, Dahoo R, Abouafmarguin L, Langlet J, Caillet J, Allavena M
Journal of Chemical Physics, 105(22), 10092, 1996
5 Calculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
Evleth EM, Kassab E, Jessri H, Allavena M, Montero L, Sierra LR
Journal of Physical Chemistry, 100(27), 11368, 1996
6 Carbonyl C-13 Shielding Tensors and Heats of Adsorption of Acetone Adsorbed in Silicalite and the 1/1 Stoichiometric Complex in H-ZSM-5
Sepa J, Lee C, Gorte RJ, White D, Kassab E, Evleth EM, Jessri H, Allavena M
Journal of Physical Chemistry, 100(47), 18515, 1996
7 Structure and Bonding of Bulk and Surface Theta-Alumina from Periodic Hartree-Fock Calculations
Borosy AP, Silvi B, Allavena M, Nortier P
Journal of Physical Chemistry, 98(50), 13189, 1994