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Ab initio SCF calculations on low-energy conformers of N-acetylglycylglycine N'-methylamide

โœ Scribed by Boehm, Hans Joachim

Book ID
127381508
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
881 KB
Volume
115
Category
Article
ISSN
0002-7863

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Ab initio SCF calculations on low-energy
Ab initio SCF calculations on low-energy conformers of cyclohexaglycine
โœ Hans-Joachim Bรถhm; Stefan Brode ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 653 KB

## Abstract Results from __ab initio__ selfโ€consistent field (SCF) calculations with a 3โ€21G and a doubleโ€zetaโ€plus polarization (DZP) basis set on four lowโ€energy conformations of cyclohexaglycine are reported. In agreement with results from semiempirical and molecular mechanics force field calcul