Citation: Sl. Njo et al., EXTENDING AND SIMPLIFYING THE ELECTRONEGATIVITY EQUALIZATION METHOD, Journal of molecular catalysis. A, Chemical, 134(1-3), 1998, pp. 79-88
Citation: Sl. Njo et al., A COMBINATION OF THE MONTE-CARLO METHOD AND MOLECULAR MECHANICS CALCULATIONS - A NOVEL WAY TO STUDY THE TI(IV) DISTRIBUTION IN TITANIUM SILICALITE-1, JOURNAL OF PHYSICAL CHEMISTRY B, 101(48), 1997, pp. 10065-10068
Authors:
NJO SL
KOEGLER JH
VANKONINGSVELD H
VANDEGRAAF B
Citation: Sl. Njo et al., MOLECULAR MECHANICS CALCULATIONS ON THE N,N-DIETHYL-3,5-DIMETHYLPIPERIDINIUM IONS IN MEL AND MFI, Microporous materials, 8(5-6), 1997, pp. 223-229
Citation: Sl. Njo et al., DETERMINATION OF FORCE-FIELD PARAMETERS FOR MOLECULAR SIMULATION BY MOLECULAR SIMULATION - AN APPLICATION OF THE WEAK-COUPLING METHOD, The Journal of chemical physics, 102(15), 1995, pp. 6199-6207