✦ LIBER ✦

Hybridization in valence bond theory: The water molecule

✍ Scribed by Roy McWeeny; F.E. Jorge

Book ID: 119117104
Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 722 KB
Volume: 169
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(88)80277-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hybridization in water molecule

✍ R. Polák 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 310 KB

The localization tccbnique applied previously to one-detc rminant closed shall functions of some molecules is now used for the analysis of the wave functionlJ of the water moloculc st various bond angles, and the results are briefly discussed.

Gradients in valence bond theory

✍ Fokke Dijkstra; Joop H. van Lenthe 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 64 KB

Valence bond functions for the hydrogen

Valence bond functions for the hydrogen molecule

✍ L. J. Schaad; I. L. Thomas 📂 Article 📅 1971 🏛 Springer 🌐 English ⚖ 628 KB

An approximate diatomics in molecules fo

An approximate diatomics in molecules formulation of generalized valence bond theory

✍ John Cullen 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 124 KB 👁 1 views

## Abstract The slow computational speed of the generalized valence bond perfect pairing method (GVB‐PP) has been an impediment to its routine use. We have addressed this problem by employing a diatomics in molecules Hamiltonian derived from a second quantization perturbation approach. This results

A valence bond study of the dioxygen mol

A valence bond study of the dioxygen molecule

✍ Peifeng Su; Lingchun Song; Wei Wu; Philippe C. Hiberty; Sason Shaik 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 606 KB

## Abstract The dioxygen molecule has been the subject of valence bond (VB) studies since 1930s, as it was considered as the first “failure” of VB theory. The object of this article is to provide an unambiguous VB interpretation for the nature of chemical bonding of the molecule by means of modern

A valence bond study of the oxygen molec

A valence bond study of the oxygen molecule

✍ Carsten P. Byrman; Joop H. van Lenthe 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 800 KB

Ab initio valence bond calculations are performed for the three lowest states of the oxygen molecule ('Xi, \*Ag, and '2;). One objective of the present study was to make a contribution to previous valence bond discussions about the oxygen "double" bond. Further, we study the origin of a small barrie