Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

Authors
Briere, TM Jeong, J Das, TP Ohira, S Nagamine, K
Citation
Tm. Briere et al., Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives, PHYSICA B, 289, 2000, pp. 128-131
Citations number
13
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526 → ACNP
Volume
289
Year of publication
2000
Pages
128 - 131
Database
ISI
SICI code
0921-4526(200008)289:<128:AIMOSO>2.0.ZU;2-W
Abstract
The muon and muonium bonding sites of the 4-arylmethyleneamino-2,2,6,6-tetr amethylpiperidin-1-yloxyl radical crystals with aryl groups consisting of b iphenyl and 4-pyridyl were studied via ab initio Hartree-Fock theory. The h yperfine fields, including both intramolecular and intermolecular interacti ons, were calculated at the sites of interest and compared to zero field mu SR results. (C) 2000 Elsevier Science B.V. All rights reserved.