Modified Neglect of Differential Overlap method

One semiempirical method which has been a workhorse in studies of fullerenes is the MNDO (Modified Neglect of Differential Overlap) method [4], which treats all valence electrons explicitly but within an essentially molecular... 

Table 5.18. Calculated and experimental geometries in borate polyhedra. Bond lengths and bond angles for the borate clusters shown calculated using ab initio SCF Hartree-Fock-Roothaan methods with various basis sets, and the modified electron-gas and modified neglect of differential overlap method, and compared with experimental values (see text for data sources)...

Andrade et al. (1994) developed a so-called sparkle model for Eu + ions in quantum-chemical calculations using the semiempirical Austin Model 1 (AMI) method (Dewar et al. 1985). In comparison to the related modified neglect of differential overlap method (MNDO) (Dewar and Thiel 1977a,b) the AMI method uses a modified core-core repulsion function and is therefore able to reproduce hydrogen bonds. The sparkle model is based on the a priori assumption that the interaction of the metal ion with... 

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>. 

Dewar and Thiel (1977) reported a modified neglect of differential overlap (MNDO) method based on the NDDO formalism for the elements C, H, O, and N. With the conventions specified by NDDO for which integrals to keep, which to discard, and how to model one-electron integrals, it is possible to write the NDDO Fock matrix elements individually for... 

Meta- Position in the Substituted Benzene Ring Minimum Energy Coordinates Modified Neglect of Differential Overlap [NDDO (Neglect of Diatomic Differential Overlap) Approximation, Method]... 

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. 

MNDO modified neglect of differential overlap (semiempirical quantum chemical method)... 

Ever since the introduction of the semi-empirical Extent Huckel Theoiy (EHT) by Hoffman [1] in the early 1960s and followed by the Complete Neglect of Differential Overlap (CNDO) method [2], there has been a constant evolution in the field of semi-empirical MO methods. This research has evolved into a situation where at present the computational chemist using the recent Modified Neglect of Differential Overlap (MNDO) [3] version and its more elaborate successors Austin Model (AMI) [4] and Parametrized Model (PM) [5] has a number of impressive tools at his or her disposal to describe the molecular structme and properties of molecules containing several hundreds of atoms. 

Ultraviolet Spectra. A comparison of UV spectra for phthalazines and related systems has been prepared and discussed in a comparative way. " The electronic spectra for phthalazine and other azanaphthalenes have been calculated by a modified INDO (intermediate neglect of differential overlap) method. ... 

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