Quantum chemical studies on certain mitomycins - AM1 treatment

Authors
Turker, L
Citation
L. Turker, Quantum chemical studies on certain mitomycins - AM1 treatment, J MOL ST-TH, 542, 2001, pp. 247-253
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
542
Year of publication
2001
Pages
247 - 253
Database
ISI
SICI code
0166-1280(20010615)542:<247:QCSOCM>2.0.ZU;2-F
Abstract
Mitomycin-C, a widely used antitumor antibiotic, and its analogues mitomyci n-A and porfiromycin are considered for AM1-RHF type semiempirical quantum chemical treatment. The structural and energetic aspects, as well as certai n molecular orbital characteristics of these structures have been compared. (C) 2001 Elsevier Science B.V. All rights reserved.