𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Comments on the quantum theory of valence and bonding: Choosing between alternative definitions

✍ Scribed by I. Mayer

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
442 KB
Volume
110
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

On the quantum theory of valence and bon
On the quantum theory of valence and bonding from the ab intio standpoint
✍ Mario A. Natiello; Jorge A. Medrano πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 191 KB

## Ab initio calculation of valence, degree of bonding and arusotropy were Armstrong et aL Some numenal results are given for selected molecules performed according to the detinitlons by

Reply to comment on the paper β€œAn effici
Reply to comment on the paper β€œAn efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory”
✍ Wei Wu; Yirong Mo πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 715 KB

## Abstract van Lenthe, Broer, and Rashid made comments on our 2009 paper [Song et al., J. Comput. Chem. 2009, 30, 399] by criticizing that we did not properly reference the work by Broer and Nieuwpoort in 1988 [Broer and Nieuwpoort, Theor. Chim. Acta. 1988, 73, 405], and we favorably compared our

On the efficiency of VBSCF algorithms, a
On the efficiency of VBSCF algorithms, a comment on β€œAn efficient algorithm for energy gradients and orbital optimization in valence bond theory”
✍ 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