✦ LIBER ✦

Semi-empirical molecular orbital calculations on tyrosine kinase inhibitors and structurally related compounds

✍ Scribed by P.C. Yates

Book ID: 113257345
Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 626 KB
Volume: 231
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(91)85218-v

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Semi-empirical molecular orbital calcula

Semi-empirical molecular orbital calculations on bambuterol, an inhibitor of human butyrylcholinesterase

✍ Michaela Ekholm; Henrik Konschin 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 662 KB

Semi-empirical molecular orbital calcula

Semi-empirical molecular orbital calculations the electronic structure and the spin-orbit coupling in azabenzenes

✍ Teijiro Yonezawa; Hajime Katô; Hiroshi Kato 📂 Article 📅 1969 🏛 Springer 🌐 English ⚖ 668 KB

Semi-empirical molecular orbital calcula

Semi-empirical molecular orbital calculations on ruthenium(III) and rhodium(III) octahedral complexes

✍ P.K. Mehrotra; P.T. Manoharan 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 491 KB

## Semi-empikl Wolfsberg-Helmholz molecular orbital (WHMO) calculations were performed on some octahedral com-pIcxes of second-row transition ions employing the approximations of ii) Basch and Gray and (ii) Cotton and Harris, for calctiting the valence orbital ionization potentials (VOIP's) of the

Semi-empirical molecular orbital calcula

Semi-empirical molecular orbital calculations on the bonding in sulfur compounds I. elemental sulfur, S6 and S8

✍ D.J. Miller; L.C. Cusachs 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 276 KB

The bonding in three elemental sulfur molecules has been investigated using semi-empirical molecular orbital calculations. It has been found that in the three molecules studied (Sg ring. Sg chain, Sg ring) d orbitals are unimportant in the ground state, but pIay a important role in excited states.

Ab initio and semi-empirical molecular o

Ab initio and semi-empirical molecular orbital calculations on 1,6-methano[10]annulene

✍ Gary L. Grunewald; Ibrahim M. Uwaydah; Ralph E. Christoffersen; Dale Spangler 📂 Article 📅 1975 🏛 Elsevier Science 🌐 French ⚖ 235 KB

Since its synthesis by Vogel et al., 4 1,6loethano[lO]annulene has been subjected to extensive Investigation to explore Its reactivity and aronaticity. We report here the results of a.b initti, CNDO/Z, and INDO molecular orbital (MO) calculations on this molecule.

Molecular orbital calculations on the ol

Molecular orbital calculations on the oligopeptides netropsin, distamycin and related compounds

✍ Mark C. Manning; Robert W. Woody 📂 Article 📅 1986 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 844 KB

The electronic structure of the antibiotics netropsin, distamycin A, and related compounds has been examined by various theoretical models. Calculations of both the Pariser-PamPople (PPP) and the semiempirical C N W / S types can account for the absorption spectrum of netropsin and distamycin A. The