✦ LIBER ✦

Conformational analysis CXIV. Molecular mechanics studies of sulfoxides

✍ Scribed by N.L. Allinger; J. Kao

Publisher: Elsevier Science
Year: 1978
Tongue: French
Weight: 55 KB
Volume: 34
Category: Article
ISSN: 0040-4020
DOI: 10.1016/0040-4020(78)88092-2

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular mechanics studies of acyl hali

Molecular mechanics studies of acyl halides: I. Molecular structures and conformational analysis

✍ Shim, Joong-Youn; Bowen, J. Phillip 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 244 KB 👁 2 views

A new molecular mechanics MM3 force field has been developed based on various experimental data as well as ab initio calculations. Computergenerated molecular structures and energy values were compared with experimentally determined data. The acyl halides studied were formyl halides, acetyl halides,

Conformational analysis of inulobiose by

Conformational analysis of inulobiose by molecular mechanics

✍ Tomas M. Calub; Andrew L. Waterhouse; Alfred D. French 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 985 KB

Conformational energies for inulobiose [beta-D-fructofuranosyl-(2----1)-beta-D-fructofuranoside], a model for inulin, were computed with the molecular mechanics program MMP2(85). The torsion angles of the three linkage bonds were driven in 20 degree increments, and the steric energy of all other par

Conformational analysis of heparin epoxi

Conformational analysis of heparin epoxide: molecular mechanics computations

✍ D.R. Ferro; J. Gajdoš; M. Ragazzi; F. Ungarelli; S. Piani 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 757 KB

The conformation of models of the epoxy-derivative of the glycosaminoglycan heparin has been studied by molecular mechanics calculations using a MM2-1ike force field extended with parameters for the oxirane ring. Two dimers, two trimers and several higher homologs modeling heparin epoxide were inves

Analysis of fructofuranose conformations

Analysis of fructofuranose conformations by molecular mechanics

✍ Alfred D. French; Vinh Tran 📂 Article 📅 1990 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 819 KB

Energies for various envelope and twist conformers of a-and p-D-fructofuranose (FF) have been calculated with MMP2 (85). Values of low energy are found near $T conformations, and, secondarily, to ranges near iT shapes. WD-FF has a path through the ' E form for transitions between these forms, as fou

Conformational analysis—131: A molecular

Conformational analysis—131: A molecular mechanics treatment of phosphines

✍ Norman L. Allinger; Hubertus Von Voithenberg 📂 Article 📅 1978 🏛 Elsevier Science 🌐 French ⚖ 649 KB

Quantum-mechanical and molecular mechani

Quantum-mechanical and molecular mechanics conformational analysis of 1,5-cyclooctadiene

✍ Rocha, Willian R.; De Almeida, Wagner B. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 248 KB 👁 2 views

The 1,5-cyclooctadiene COD molecule can easily form complexes with transition metals with the molecular structure of various of these complexes being proposed with the aid of X-ray diffraction methods. The fact that the complexes exhibit weak metal᎐COD bonds makes it very important in inorganic synt