MINDO, or Modified Intermediate Neglect of Differential Overlap is a
semi-empirical method for the
quantum calculation of molecular electronic structure in
computational chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of mo ...
. It is based on the Intermediate Neglect of Differential Overlap (
INDO) method of
John Pople
Sir John Anthony Pople (31 October 1925 – 15 March 2004) was a British theoretical chemist who was awarded the Nobel Prize in Chemistry with Walter Kohn in 1998 for his development of computational methods in quantum chemistry.
Early ...
. It was developed by the group of
Michael Dewar and was the original method in the
MOPAC
MOPAC is a popular computer program used in computational chemistry. It is designed to implement semi-empirical quantum chemistry algorithms, and it runs on Windows, Mac, and Linux.
MOPAC2016 is the current version. MOPAC2016 is able to perform c ...
program. The method should actually be referred to as MINDO/3. It was later replaced by the
MNDO MNDO, or Modified Neglect of Diatomic Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Diatomic Differential Overlap integral approximation ...
method, which in turn was replaced by the
PM3 and
AM1 methods.
References
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Semiempirical quantum chemistry methods
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