화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 NOx adsorption on K and Ba loaded on zirconia-titania NSR catalysts: A comparative study by in situ and operando IR spectroscopy
Nguyen HP, Del Valle SP, Marie O
Applied Catalysis B: Environmental, 231, 391, 2018
2 Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method
Manaa MR
Chemical Physics Letters, 678, 102, 2017
3 Electronic structure tuning and band gap opening of nitrogen and boron doped holey graphene flake: The role of single/dual doping
Omidvar A
Materials Chemistry and Physics, 202, 258, 2017
4 Alert-QSAR. Implications for Electrophilic Theory of Chemical Carcinogenesis
Putz MV, Ionascu C, Putz AM, Ostafe V
International Journal of Molecular Sciences, 12(8), 5098, 2011
5 Compactness Aromaticity of Atoms in Molecules
Putz MV
International Journal of Molecular Sciences, 11(4), 1269, 2010
6 Density functionals of chemical bonding
Putz MV
International Journal of Molecular Sciences, 9(6), 1050, 2008
7 Mechanochemistry: The last energetic frontier
Eckhardt CJ
Molecular Crystals and Liquid Crystals, 456, 1, 2006
8 Relation of certain quantum chemical parameters to lubrication behavior of solid oxides
Erdemir A, Li SH, Jin YS
International Journal of Molecular Sciences, 6(6-8), 203, 2005
9 Theoretical calculation of absolute radii of atoms and ions. Part 2. The ionic radii
Ghosh DC, Biswas R
International Journal of Molecular Sciences, 4(6), 379, 2003
10 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