✦ LIBER ✦

Geometry optimization of Zn1−xMnxS structures by SCF CNDO and INDO methods

✍ Scribed by K.K. Stavrev; K.D. Kynev; G.St. Nikolov

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 276 KB
Volume: 101
Category: Article
ISSN: 0022-0248
DOI: 10.1016/0022-0248(90)91000-g

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A comparative study of the structure and

A comparative study of the structure and bonding of HOO, HOS, HSO, and HSS radicals by CNDO/2 and INDO methods

✍ B. R. De; A. B. Sannigrahi 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 509 KB

## Abstract Equilibrium geometries, force constants, barriers to linearity, charge distributions, dipole moments, and electron spin density of HOO, HOS, HSO, and HSS radicals are calculated by CNDO/2 and INDO methods using respectively the original and some recently introduced scheme of parametriza

Zwitterionic mechanisms for photooxygena

Zwitterionic mechanisms for photooxygenation reactions of n-activated c-c double bonds: full geometry optimizations of the diradical and zwitterionic intermediates by ab initio SCF method

✍ Kizashi Yamaguchi; Satoshi Yabushita; Takayuki Fueno 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 584 KB