## Abstract Results from __ab initio__ self‐consistent field (SCF) calculations with a 3‐21G and a double‐zeta‐plus polarization (DZP) basis set on four low‐energy conformations of cyclohexaglycine are reported. In agreement with results from semiempirical and molecular mechanics force field calcul
✦ LIBER ✦
Ab initio SCF and force-field calculations on low-energy conformers of 2-acetylamino-2,N-dimethylpropanamide
✍ Scribed by Alem�n, Carlos; Casanovas, Jordi
- Book ID
- 125498188
- Publisher
- Royal Society of Chemistry
- Year
- 1994
- Tongue
- English
- Weight
- 753 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1472-779X
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio SCF calculations on low-energy
✍
Hans-Joachim Böhm; Stefan Brode
📂
Article
📅
1995
🏛
John Wiley and Sons
🌐
English
⚖ 653 KB
Ab initio SCF calculations on low-energy
✍
Boehm, Hans Joachim
📂
Article
📅
1993
🏛
American Chemical Society
🌐
English
⚖ 881 KB
Ab initio SCF calculations on low-energy
✍
Boehm, Hans Joachim; Brode, Stefan
📂
Article
📅
1991
🏛
American Chemical Society
🌐
English
⚖ 880 KB
Studies on the Solvolytic Reactivity of
✍
Liu, Kwang-Ting; Tsao, Meng-Lin
📂
Article
📅
1998
🏛
American Chemical Society
🌐
English
⚖ 49 KB
A Conformational Study on Silacyclohexan
✍
Ingvar Arnason; Gudjon K. Thorarinsson; Eberhard Matern
📂
Article
📅
2000
🏛
John Wiley and Sons
🌐
German
⚖ 545 KB
The structures and relative energies for the basic conformations of silacyclohexane 1 have been calculated using HF, RI-MP2, RI-DFT and MM3 methods. All methods predict the chair form to be the dominant conformation and all of them predict structures which are in good agreement with experimental dat
Ab Initio Calculations on Al 2 N 4 and A
✍
Lee, Edmond P. F.; Dyke, John M.; Claridge, Rob P.
📂
Article
📅
2002
🏛
American Chemical Society
🌐
English
⚖ 614 KB