✦ LIBER ✦

Ab initio molecular orbital calculations on silica rings

✍ Scribed by J.M. Nedelec; L.L. Hench

Book ID: 117149914
Publisher: Elsevier Science
Year: 1999
Tongue: English
Weight: 267 KB
Volume: 255
Category: Article
ISSN: 0022-3093
DOI: 10.1016/s0022-3093(99)00367-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

AB Initio molecular orbital calculations

AB Initio molecular orbital calculations on the si2h4molecule

✍ R. Daudel; R.E. Kari; R.A. Poirier; J.D. Goddard; I.G. Csizmadia 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 459 KB

Ab initio calculations on ring-shaped si

Ab initio calculations on ring-shaped silica clusters

✍ B. W. H. Beest; J. Verbeek; R. A. Santen 📂 Article 📅 1988 🏛 Springer US 🌐 English ⚖ 359 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on oxiranylidene and ethynol

✍ O.P. Strausz; R.K. Gosavi; H.E. Gunning 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 322 KB

Ab initlo double zeta quality SCF MO calculations were carried out on the total energies of the lowest singlet states of oviranylidene and ethynol with full geometrical optimization. The lowest energy paths and energy barrters for the isomertzation of oxiranylidene to ketene and to formylmethylene w

AB initio molecular orbital calculations

AB initio molecular orbital calculations on the pentadienyl radical

✍ A. Hinchliffe; J.C. Cobb 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 431 KB

Counterintuitive orbital mixing in semie

Counterintuitive orbital mixing in semiempirical and ab initio molecular orbital calculations

✍ Ammeter, J. H.; Buergi, H. B.; Thibeault, J. C.; Hoffmann, R. 📂 Article 📅 1978 🏛 American Chemical Society 🌐 English ⚖ 784 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on some selected boron(I) hydrides

✍ R. Daudel; C. Kozmutza; J.D. Goddard; I.G. Csizmadia 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 447 KB