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MNDO calculations on systems containing S-H hydrogen bonds

✍ Scribed by A. A. Voityuk; A. A. Bliznyuk

Publisher: SP MAIK Nauka/Interperiodica
Year: 1987
Tongue: English
Weight: 317 KB
Volume: 28
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00749537

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📜 SIMILAR VOLUMES

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✍ Alexander A. Voityuk; Andrey A. Bliznyuk 📂 Article 📅 1987 🏛 Springer 🌐 English ⚖ 256 KB

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MNDO calculations of systems with hydrogen bonds S-H

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MNDO calculations on hydrogen bonds. Modified function for core-core repulsion

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## Abstract Parametrization of MNDO for aluminum and comparisons of calculated molecular properties with experimental values indicate the general usefulness of MNDO to study aluminum‐containing compounds. Although results are not as good as for molecules containing only C, H, N, and O, they are nev