✦ LIBER ✦

Calculation of the potential surface and force constants of the ammonia dimer by the SCF MO LCAO method

✍ Scribed by A. V. Shtoff; Yu. Yu. Dmitriev; V. I. Temkin

Publisher: SP MAIK Nauka/Interperiodica
Year: 1980
Tongue: English
Weight: 189 KB
Volume: 20
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00746340

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The calculation of NMR spin-spin couplin

The calculation of NMR spin-spin coupling constants using standard LCAO-SCF-MO methods

✍ J.M André; J.B Nagy; E.G Derouane; J.G Fripiat; D.P Vercauteren 📂 Article 📅 1977 🏛 Elsevier Science ⚖ 839 KB

Nonempirical MO LCAO SCF calculations of

Nonempirical MO LCAO SCF calculations of the force fields and vibrational spectra of polyatomic inorganic molecules

✍ V. G. Solomonik 📂 Article 📅 1983 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 718 KB

Ab initioLCAO MO SCF calculation of pote

Ab initioLCAO MO SCF calculation of potential surface of the NO2 molecule

✍ Keiko Morita; Hiroshi Sato; Eiichi Ishiguro 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 245 KB

## Abstract The SCF potential surface of the ground state for NO~2~ was calculated by using program JAMOL 3. The McLean–Loew–Berkowitz CGTO's were used as basis functions. One of the two NO distance __R__ is fixed to 2.25 a.u. and the other one __r__ and the ONO angle θ are varied from 2.25 to 5.0

Calculation of the electronic structure

Calculation of the electronic structure of aza derivatives of porphin by the MO LCAO SCF method in the INDO approximation

✍ V. M. Mamaev; I. P. Gloriozov; L. G. Boiko 📂 Article 📅 1979 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 210 KB

LCAO-MO-SCF-Calculations on the stabilit

LCAO-MO-SCF-Calculations on the stability and Sterochernistry of hydrogen bonds

✍ Peter Schuster 📂 Article 📅 1970 🏛 Springer 🌐 English ⚖ 689 KB

Calculation of the electronic structure

Calculation of the electronic structure of the ClF5molecule using the NDDO approximation to the SCF LCAO MO method

✍ A. A. Bagatur'yants; N. M. Klimenko; M. E. Dyatkina 📂 Article 📅 1974 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 278 KB