𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of molecular maximum bond energy structures

✍ Scribed by Chang-Guo Zhan

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
373 KB
Volume
179
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Molecular maximum bond energy structures
Molecular maximum bond energy structures from maximum overlap symmetry hybrid orbid calculation
✍ Chang-Guo Zhan πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 448 KB

It is shown that the maximum bond energy structure method can be extended by using the maximum overlap symmetry hybrid orbital procedure. The extended method can be applied to not only c-bond systems, but also other complex systems involving multiple and/or conjugated bonds. The method is much easie

Calculation of the maximum bond order
Calculation of the maximum bond order
✍ Chang-Guo Zhan; Qiong-Lin Wang; Fang Zheng πŸ“‚ Article πŸ“… 1990 πŸ› Springer 🌐 English βš– 107 KB
The counterpoise method and bond functio
The counterpoise method and bond functions in molecular dissociation energy calculations
✍ Fu-Ming Tao πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 484 KB

The counterpoise method and bond functions are investigated by performing the complete fourth-order Meller-Plesset perturbation calculations for the molecular dissociation energies 0, of the ground state molecules Na and HF, using a series of basis sets systematically extended with polarization func

Non-empirical valence bond calculation o
Non-empirical valence bond calculation of hydrogen bond energy in polypeptides
✍ Shiro Takashima πŸ“‚ Article πŸ“… 1972 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 463 KB πŸ‘ 2 views

## Abstract An approximate __ab‐initio__ valence bond calculation of hydrogen bond energy was carried out and the results are discussed. The total bond energy of a simplified Nο£ΏH…O structure is calculated for various Nο£ΏH and N…O distances and the potential energy profiles are obtained. The hydrogen