๐”– Bobbio Scriptorium
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Electronic structure of the peptide linkage. I. Equilibrium geometry and electronic properties of formhydroxamic acid

โœ Scribed by Rifaat Hilal; Hussein Moustafa


Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
629 KB
Volume
26
Category
Article
ISSN
0020-7608

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The equilibrium geometry, electronic str
โœ Marshall D. Newton; Howard A. Fraenkel ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 317 KB

Ab initio calcu!ations at the SCF and CI level have been carried out for the singlet ground state of ortko-benzyne (1,2-del~ydrobenzenc) at a variety of Clv molecular geometries. The principal features of the equilibrium geometry arc: (1) an "acetylenic" ClC2 bond (1.22 A): (2) a C4Cs bond slightly