Intermediate Neglect of Differential Overlap INDO

The intermediate neglect of differential overlap (INDO) method was at one time used for organic systems. Today, it has been superseded by more accurate methods. INDO is still sometimes used as an initial guess for ah initio calculations. 

ZINDO/1 is based on a modified version of the intermediate neglect of differential overlap (INDO), which was developed by Michael Zerner of the Quantum Theory Project at the University of Florida. Zerner s original INDO/1 used the Slater orbital exponents with a distance dependence for the first row transition metals only. However, in HyperChem constant orbital exponents are used for all the available elements, as recommended by Anderson, Edwards, and Zerner, Inorg. Chem. 28, 2728-2732,1986. 

Structure. The straiued configuration of ethylene oxide has been a subject for bonding and molecular orbital studies. Valence bond and early molecular orbital studies have been reviewed (28). Intermediate neglect of differential overlap (INDO) and localized molecular orbital (LMO) calculations have also been performed (29—31). The LMO bond density maps show that the bond density is strongly polarized toward the oxygen atom (30). Maximum bond density hes outside of the CCO triangle, as suggested by the bent bonds of valence—bond theory (32). The H-nmr spectmm of ethylene oxide is consistent with these calculations (33). 

More sophisticated procedures involve taking the start MO coefficients from a semi-empirical calculation, such as Extended HUckel Theory (EHT) or Intermediate Neglect of Differential Overlap (INDO) (Sections 3.12 and 3.9). The EHT method has the advantage that it is readily parameterized for all elements, and it can provide start orbitals for systems involving elements from essentially the whole periodic table. An INDO calculation normally provides better start orbitals, but at a price. The INDO... 

On the basis of the optimized ground-slate geometries, we simulate the absorption speetra by combining the scmicmpirical Hartree-Fock Intermediate Neglect of Differential Overlap (INDO) Hamiltonian to a Single Configuration Interaction... 

Ridley J, Zemer M (1973) Intermediate neglect of differential overlap (INDO) technique for spectroscopy pyrrole and the azines. Theor Chim Acta(Berl) 32 111-134... 

The electronic structures of the hetero- and homobimetallic triple-deckers 11 and 12 were investigated by photoelectron spectroscopy and intermediate neglect of differential overlap (INDO) molecular orbital (MO) calculations, which revealed that the metal-borole interaction is stronger in the dimanganese system 12 than in 11, owing to better Mn-borole versus Co-borole orbital overlap.12... 

Intermediate neglect of differential overlap INDO (allowance for contribution of one-centre exchange integrals)... 

The Intermediate Neglect of Differential Overlap (INDO) Method... 

Breton et al. <2002JOC6699> have reported some computational studies on a few selected derivatives of 1,2-dihydrodiazete. Warrener performed some semi-empirical intermediate neglect of differential overlap (INDO) molecular orbital calculations on unsubstituted dihydrodiazete, cis- and trans-14 <1979AJC2659>. 

The widespread application of MO theory to systems containing a bonds was sparked in large part by the development of extended Hiickel (EH) theory by Hoffmann (I) in 1963. At that time, 7r MO theory was practiced widely by chemists, but only a few treatments of a bonding had been undertaken. Hoffmann s theory changed this because of its conceptual simplicity and ease of applicability to almost any system. It has been criticized on various theoretical grounds but remains in widespread use today. A second approximate MO theory with which we are concerned was developed by Pople and co-workers (2) in 1965 who simplified the exact Hartree-Fock equations for a molecule. It has a variety of names, such as complete neglect of differential overlap (CNDO) or intermediate neglect of differential overlap (INDO). This theory is also widely used today. 

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