Modified intermediate neglect

MINDO (modified intermediate neglect of differential overlap) a semiempirical method... 

Modified Intermediate Neglect of Differential Overlap (MINDO)... 

Three versions of Modified Intermediate Neglect of Differential Overlap (MINDO) models exist, MINDO/1, MINDO/2 and MINDO/3. The first two attempts at parameterizing INDO gave quite poor results, but MINDO/3, introduced in 1975, produced the first general purpose quantum chemical method which could successfully... 

Modified intermediate neglect of differential overlap (MINDO/3) and modified neglect of differential overlap (MNDO) methods with full geometry optimization calculate triazol[4,5-, [l,2,3]triazole to possess antiaromatic structure with C h symmetry but not 1)2,5. In contrast, the aromatic structure with 1)2,5 symmetry is found advantageous for the 2,5-dioxide derivative <1991IZV1825>. 

A variety of more advanced, all-electron methods of this type Me available, and are generally referred to as semi-empirical calculations. The acronyms used to name the individual methods are descriptive of the manner in which atomic overlap calculations are performed. Among the more widely used semi-empirical methods are those of complete neglect of differential overlap (CNDO/2) (12), modified intermediate neglect of differential overlap (MINDO/3) (13), and modified neglect of diatomic overlap (MNDO) (14). 

Dewar and coworkers parameterized these approaches to give the modified intermediate neglect of differential overlap/3 (MINDO/3) <1975JA1285> and modified neglect of differential overlap (MNDO) <1977JA4899> methods. 

According to a modified intermediate neglect of differential overlap (MINDO)/3 calculation, the highest occupied molecular orbital (HOMO) of a dicyanoDHI 7 shows a wave function similar to the lowest unoccupied molecular orbital (LUMO). Thus a locally excited (LE) transition (n-Jt ) is most probably hidden under this band. The assignment of a second band of 7 is less clear. 

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