A critical comparison of MINDO/3, MNDO, AM1, and PM3 for a model problem: Carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants-Reference-Cited by-同舟云学术

A critical comparison of MINDO/3, MNDO, AM1, and PM3 for a model problem: Carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants

Published:1991-01 Issue:1 Volume:12 Page:52-70
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Martin J. M. L.,François J. P.,Gijbels R.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference91 articles.

1. Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method

2. Ground states of molecules. 38. The MNDO method. Approximations and parameters

3. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

4. Optimization of parameters for semiempirical methods I. Method

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