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MNDO calculations of systems with hydrogen bonds S-H

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

Publisher: Springer
Year: 1987
Tongue: English
Weight: 232 KB
Volume: 71
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00529104

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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 containing

MNDO calculations of systems containing hydrogen bonds

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

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

A study of hydrogen bond strengths of ne

A study of hydrogen bond strengths of neutral water clusters (H2O)nusing modified MNDO

✍ S. H. Suck Salk; T. S. Chen; D. E. Hagen; C. K. Lutrus 📂 Article 📅 1986 🏛 Springer 🌐 English ⚖ 441 KB

Molecular orbital studies of hydrogen bo

Molecular orbital studies of hydrogen bonds. IV. Hydrogen bonds in excited states of H2CO with H2O

✍ Suehiro Iwata; Keiji Morokuma 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 415 KB

Ab initio calculations for the interacting system of lower excited states of planar and bent HzCO with B?O have been carried out with a minimum basis set, using the recently proposed electron-hole potential method The blue shifts of the n-z\* transition are evaiuated as I100 and 142Q cm-\* ' .or th