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MNDO calculations of systems containing hydrogen bonds

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

Publisher: Springer
Year: 1987
Tongue: English
Weight: 256 KB
Volume: 72
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00527665

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📜 SIMILAR VOLUMES

MNDO calculations on systems containing

MNDO calculations on systems containing S-H hydrogen bonds

✍ A. A. Voityuk; A. A. Bliznyuk 📂 Article 📅 1987 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 317 KB

MNDO calculations of systems with hydrog

MNDO calculations of systems with hydrogen bonds S-H

✍ Alexander A. Voityuk; Audrey A. Bliznyuk 📂 Article 📅 1987 🏛 Springer 🌐 English ⚖ 232 KB

Modification of the MNDO method for calc

Modification of the MNDO method for calculations for systems with hydrogen bonds

✍ K. Ya. Burshtein; A. N. Isaev 📂 Article 📅 1984 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 419 KB

MNDO calculations on hydrogen bonds. Mod

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

✍ Konstantin Ya. Burstein; Alexander N. Isaev 📂 Article 📅 1984 🏛 Springer 🌐 English ⚖ 208 KB

MNDO Calculations of silicon-containing

MNDO Calculations of silicon-containing molecules

✍ W. S. Verwoerd 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 502 KB

## Abstract A comparison is made of MNDO and MINDO/3 calculations for saturated silicon‐containing molecules, and with experimental values, for heats of formation, molecular geometries, charge distributions, and ionization potentials. Except for bond angles, it is found that with the published para

Application of the MNDO/HB method for ca

Application of the MNDO/HB method for calculating systems with proton transfer in hydrogen bonds

✍ K. Ya. Burshtein; A. N. Isaev 📂 Article 📅 1986 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 345 KB