Calculation Research of the Titanium Carbonyls with Thiophene on Structures and Thermochemistry
The structures and energetics of the mononuclear titanium carbonyls Ti(C4H3S)i(CO)j, (i+j=4, i=1,2,3,4, j=1,2,3,4) and binuclear titanium carbonyls with thiophene Ti2(C4H3S)m(CO)n (m=1, 2, 3, 4; n=1, 2, 3, 4; m+n=8) have been investigated using density functional theory. Every structure of the binuc...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIDIC Servizi S.r.l.
2017-12-01
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| Series: | Chemical Engineering Transactions |
| Online Access: | https://www.cetjournal.it/index.php/cet/article/view/850 |