| dc.creator |
Balci, Mine |
|
| dc.creator |
BOYLU, Ozgun |
|
| dc.creator |
URAS-AYTEMIZ, Nevin |
|
| dc.date |
2007-06-27T21:00:00Z |
|
| dc.date.accessioned |
2020-10-06T09:29:59Z |
|
| dc.date.available |
2020-10-06T09:29:59Z |
|
| dc.identifier |
1fb6dd34-2b94-4229-9401-747f87ba58e7 |
|
| dc.identifier |
10.1063/1.2747246 |
|
| dc.identifier |
https://avesis.sdu.edu.tr/publication/details/1fb6dd34-2b94-4229-9401-747f87ba58e7/oai |
|
| dc.identifier.uri |
http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/55046 |
|
| dc.description |
Ab initio and density functional theory calculations with aug-cc-pVDZ and aug-cc-pVTZ basis sets have been performed on the HCl-CH3SH dimer and HCl-(CH3SH)(2) and (HCl)(2)-CH3SH trimers. Structures, energetics, and infrared frequencies are calculated. The results are discussed in terms of the cooperativity effect which is a characteristic of H-bonded systems and compared to oxygen-containing analogs of the same trimers, HCl-(CH3OH)(2) and (HCl)(2)-CH3OH, which have been published recently. (c) 2007 American Institute of Physics. |
|
| dc.language |
eng |
|
| dc.rights |
info:eu-repo/semantics/closedAccess |
|
| dc.title |
Nonadditive effects in the mixed trimers of HCl and methanethiol |
|
| dc.type |
info:eu-repo/semantics/article |
|