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An algorithm for the enumeration of bonding and antibonding MO's in conjugated hydrocarbons

✍ Scribed by Ivan Gutman


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
263 KB
Volume
37
Category
Article
ISSN
0009-2614

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On the efficiency of VBSCF algorithms, a
✍ J. H. van Lenthe; H. B. Broer-Braam; Z. Rashid πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 726 KB

## Abstract We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who publis