✦ LIBER ✦

Spectroscopic properties of the hydroxonium ion calculated from scep cepa wavefunctions

✍ Scribed by P. Botschwina; P. Rosmus; E.-A. Reinsch

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 659 KB
Volume: 102
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(83)87045-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Spectroscopic properties of the cyanide

Spectroscopic properties of the cyanide ion calculated by SCEP CEPA

✍ Peter Botschwina 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 347 KB

Spectroscopic properties of the cyanide anion have been calculated from h@ly correlated SCEP CEPA wavefunctions. The rotational constant B,, and the vibrational frequency v of 1zC'4N-are predicted to be 56.22 GHz and 2052 cm-'. respcctivcly, with an uncertninty of about 0.3%. The &pole moment UI the

Spectroscopic properties of CF+ calculat

Spectroscopic properties of CF+ calculated by SCEP-CEPA

✍ Peter Botschwina 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 314 KB

Spectroscopic properties of HCNH+ calcul

Spectroscopic properties of HCNH+ calculated by SCEP CEPA

✍ Peter Botschwina 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 687 KB

The calculation of one-electron properti

The calculation of one-electron properties from Xα multiple scattering wavefunctions

✍ David A. Case; Martin Karplus 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 573 KB

The calculation of two-electron properti

The calculation of two-electron properties from multiple-scattering Xα wavefunctions

✍ Michael Cook; Martin Karplus 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 501 KB