화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Light-induced Excited Spin State Trapping: Ab Initio Study of the Physics at the Molecular Level
Suaud N, Bonnet ML, Boilleau C, Labeguerie P, Guihery N
Journal of the American Chemical Society, 131(2), 715, 2009
2 DFT modeling of sandwich complexes involving cationic palladium chains and polyenic or polycyclic aromatic hydrocarbons
Labeguerie P, Benard M, Rohmer MM
Inorganic Chemistry, 46(13), 5283, 2007
3 The structural, electronic and vibrational properties of LiOH and NaOH: an ab initio study
Merawa M, Labeguerie P, Ugliengo P, Doll K, Dovesi R
Chemical Physics Letters, 387(4-6), 453, 2004
4 Infrared spectra of hydrogen-bonded ionic crystals: Ab initio study of Mg(OH)(2) and beta-Be(OH)(2)
Ugliengo P, Pascale F, Merawa M, Labeguerie P, Tosoni S, Dovesi R
Journal of Physical Chemistry B, 108(36), 13632, 2004