๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Structures and energetics of radical cations containing tributyltin fragments: A PM3 study

โœ Scribed by Christopher Glidewell; Christopher J. Rhodes

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
526 KB
Volume
471
Category
Article
ISSN
0022-328X

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Energetics of the cyclo(Pro-Gly) cation
Energetics of the cyclo(Pro-Gly) cation fragmentation: a mass spectrometric study and theoretical calculations
โœ Ling, Yun; Lifshitz, Chava ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 472 KB ๐Ÿ‘ 1 views

The energetics of HNCO elimination from the cyclo(Pro-Gly) radical cation was studied by electron ionization tandem mass spectrometry, photoionization mass spectrometry and RRKM/QET modeling. The heat of formation and vibrational frequencies of the reactant were calculated by density functional theo

The Energetic and Structural Effects of
The Energetic and Structural Effects of Steric Crowding in Phosphate and Dithiophosphinate Complexes of Lanthanide Cations M3+: A Computational Study
โœ Christian Boehme; Georges Wipff ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 221 KB ๐Ÿ‘ 1 views

Metal ยฑ ligand binding strength and selectivity result from antagonistic metal ยฑ ligand M ยฑ L attractions and ligand ยฑ ligand L ยฑ L repulsions. On the basis of quantum-mechanical (QM) calculations on lanthanide complexes, we show that this interplay determines the binding affinities in the gas phase