CNDO complete neglect of differential

The INDO (Intermediate Neglect of Differential Overlap) differs from CNDO in the treatment of one-center exchange integrals. The CNDO (Complete Neglect of Differential Overlap) treatment retains only the two-electron integrals (p.p. vv) = The Yj y are... 

A method which is similar to the Pariser-Parr-Pople method for the n electron system and is applicable to common, saturated molecules has been proposed by Pople 28>. This method is called the CNDO complete neglect of differential overlap) SCF calculation. Katagiri and Sandorfy 29> and Imamura et al. °) have used hybridized orbitals as basis of the Pariser-Parr-Pople type semiempirical SCF calculation. 

This semiempirical treatment (CNDO = Complete Neglect of Differential Overlap), introduced by Pople et al. 9 is derived from the full Roothaan 3> LCAO SCF MO treatment by making the following approximations ) ... 

Comparison of the Gibbs energies of Na -alkylammonium exchange in different clay minerals with their charge distribution from CNDO (complete neglect of differential overlap)... 

The CNDO procedure proposed and developed by Pople and his co-workers 5 61), as well as a number of its variants, are characterized by the assumption of vanishing overlap between basis set orbitals (CNDO = Complete Neglect of Differential Overlap), which reduces the number of non-zero two electron integrals drastically. Various other approximations and modifications had to be introduced... 

A series of CNDO (complete neglect of differential overlap) calculations have been performed on the structure, formation, and nucleophilic reactivity of thiatriazole.2 Figures 1 and 2 indicate the lowest energy structures, with optimal geometry and electron distribution, for thiatriazole (2) and the related 1,3,4-thiadiazole (I). 

CNDO = complete neglect of differential overlap. Bond lengths = 3.0 A. 

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