Buscar
Mostrando ítems 1-10 de 59
S-O Valence force constants of sulfoxides by quantum chemical methods
(1992)
S-O stretching force constants in a series of synmetrical sulfoxide compounds were calculated from quantum chemical methods. Molecular geometries were obtained from experimental data and from MNDO and PM3 calculations. S-O ...
MNDO theoretical study of ethanol decomposition process on SnO2 surfaces
(Elsevier B.V., 1995-11-20)
An MNDO study has been carried out to analyze the decomposition process of the ethanol molecule on a SnO2 surface. A (SnO2)(7) (110) model has been selected to represent the surface. The decomposition process has been ...
MNDO theoretical study of ethanol decomposition process on SnO2 surfaces
(Elsevier B.V., 2014)
A structure-activity relationship study of lapachol and some derivatives of 1,4-naphthoquinones against carcinosarcoma Walker 256
(Plenum Publ CorpNew YorkEUA, 1998)
A MNDO STUDY OF THE C=N BOND FORCE-CONSTANTS OF CH3CN-BF3 AND CH3CN-BCL3
(Acad Brasileira De CienciasRio De JaneiroBrasil, 1987)
A PARAMETRIC METHOD-3 (PM3) STUDY OF TRANS-STILBENE
(Amer Inst PhysicsMelvilleEUA, 1993)