화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Molecular orbital and density functional study of the formation, charge transfer, bonding and the conformational isomerism of the boron trifluoride (BF3) and ammonia (NH3) donor-acceptor complex
Ghosh DC, Bhattacharyya S
International Journal of Molecular Sciences, 5(8-10), 239, 2004
2 Post Hartree-Fock and DFT Studies on Pyrrole center dot center dot center dot Nitrogen and Pyrrole center dot center dot center dot Carbon Monoxide Molecules
Kanakaraju R, Kolandaivel P
International Journal of Molecular Sciences, 3(7), 777, 2002
3 Theoretical study of the double proton transfer in the CHX-XH center dot center dot center dot CHX-XH (X = O, S) complexes
Jaque P, Toro-Labbe A
Journal of Physical Chemistry A, 104(5), 995, 2000
4 Hardness Profiles of Some 1,2-Hydrogen Shift Reactions
Kar T, Scheiner S
Journal of Physical Chemistry, 99(20), 8121, 1995
5 Chemical Hardness in Density-Functional Theory
Makov G
Journal of Physical Chemistry, 99(23), 9337, 1995
6 Change of Hardness and Chemical-Potential in Chemical-Binding - A Quantitative Model
Pal S, Roy R, Chandra AK
Journal of Physical Chemistry, 98(9), 2314, 1994