Practical limitations observed using the AM1, MNDO and MINDO/3 semi-empirical methods for charge calculation and structure optimization in 1,2,4-triazine ring-containing compounds
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Media type:
E-Article
Title:
Practical limitations observed using the AM1, MNDO and MINDO/3 semi-empirical methods for charge calculation and structure optimization in 1,2,4-triazine ring-containing compounds
Contributor:
Janes, Robert W.;
Palmer, Rex A.
Published:
Elsevier BV, 1995
Published in:
Journal of Molecular Structure: THEOCHEM, 339 (1995) 1-3, Seite 95-101