화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 A computational study of the molecular structure of 1,3 lambda(4)delta(2),2,4-benzodithiadiazine
Tersago K, De Dobbelaere C, Van Alsenoy C, Blockhuys F
Chemical Physics Letters, 434(4-6), 200, 2007
2 The molecular structure of Roesky's sulfoxide - Another computational challenge
Tersago K, Van Alsenoy C, Woollins JD, Blockhuys F
Chemical Physics Letters, 423(4-6), 422, 2006
3 E-2(CN)(2) (E = S, Se) and related compounds
Burchell CJ, Kilian P, Slawin AMZ, Woollins JD, Tersago K, Van Alsenoy C, Blockhuys F
Inorganic Chemistry, 45(2), 710, 2006
4 5,6,7,8-Tetrafluoro-3 lambda(4)delta(2),1,2,4-benzothiaselenadiazine, 5,6,7,8-tetrafluoro-1,3 lambda(4)delta(2),2,4-benzodithiadiazine, and their hydrocarbon analogues: Molecular and crystal structures
Makarov AY, Tersago K, Nivesanond K, Blockhuys F, Van Alsenoy C, Kovalev MK, Bagryanskaya IY, Gatilov YV, Shakirov MM, Zibarev AV
Inorganic Chemistry, 45(5), 2221, 2006
5 Is there a satisfactory description of the molecular structure of Roesky's ketone?
Tersago K, Olah J, Martin JML, Veszpremi T, Van Alsenoy C, Blockhuys F
Chemical Physics Letters, 413(4-6), 440, 2005
6 A systematic study of the effect of correlation, DFT functional and basis set on the structure of Roesky's ketone
Van Droogenbroeck J, Tersago K, Van Alsenoy C, Blockhuys F
Chemical Physics Letters, 399(4-6), 516, 2004