๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio MO calculations on structures and internal rotational barriers of nitroethene and nitrobenzene

โœ Scribed by Glenn H. Penner

Book ID
119116592
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
383 KB
Volume
137
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Rotational barrier and structure of amin
Rotational barrier and structure of aminoborane determined by AB initio calculations
โœ Odd Gropen; Hans M. Seip ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 233 KB

Ab initio calculations have been used to determine the structural parameters of both the planar and the orthogorial form of H~BNHz. The BN bond hngths were found to be 1.378 A and 1.469 A, respectively. The arrangement about nitrogen is pyramidal in the orthogonal form, The best estimate of the barr

Ab Initio Calculations of the Rotational
Ab Initio Calculations of the Rotational Barriers in H2Te2 and (CH3)2Te2
โœ Joseph J. BelBruno ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 139 KB ๐Ÿ‘ 2 views

The heights of the rotational barriers of the ditelluride bridge in H 2 Te 2 and (CH 3 ) 2 Te 2 have been calculated at the Hartree-Fock level with the 3-21G basis set. The minima in the rotational potential energy functions occur at torsional angles of 87.58ะŠ and 89.32ะŠ, respectively. The barriers