Optimization of parameters for semiempirical methods. III Extension of PM3 to Be, Mg, Zn, Ga, Ge, As, Se, Cd, In, Sn, Sb, Te, Hg, Tl, Pb, and Bi

Journal of Computational Chemistry

Volumn 12, Issue 3, 1991, Pages 320-341

  Stewart, James J P ^a  

^a UNITED STATES AIR FORCE ACADEMY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986525833     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540120306     Document Type: Article

References (36)

1. Optimization of parameters for semiempirical methods I. Method
2. Reply to ?Comments on a comparison of AM1 with the recently developed PM3 method?
3. Comments on a comparison of AM1 with the recently developed PM3 method
4. MNDO calculations for compounds containing aluminum and boron
5. An improved set of mndo parameters for sulfur
6. Ground states of molecules. 53.MNDO calculations for molecules containing chlorine
7. Ground states of molecules. 64.MNDO Calculations for compounds containing bromine
8. Ground states of molecules. 67.MNDO Calculations for compounds containing iodine
9. Optimization of parameters for semiempirical methods II. Applications
10. Molecular Structure of Dicyclopentadienylberyllium (C5H5) 2Be
11. On the Molecular Structure of Di-cyclopentadienylberyllium (C5H5)2Be. II. Least Squares Refinement.
12. Molecular structure of bis(cyclopentadienyl)beryllium in the crystal at –120° and in the gas phase
13. Crystal structure of bis(cyclopentadienyl)beryllium at –120°C