Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study
We analyze theoretically the stabilization process when several azobenzenes form complexes of 1:2 stoichiometry starting from simple 1:1 associations instead of three isolated molecules. We resort to molecular mechanics calculations using the modified version of MM2 and applying some geometrical res...
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2001
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v537_n1_p235_Barbiric http://hdl.handle.net/20.500.12110/paper_01661280_v537_n1_p235_Barbiric |
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paper:paper_01661280_v537_n1_p235_Barbiric |
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paper:paper_01661280_v537_n1_p235_Barbiric2023-06-08T15:15:21Z Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study Azobenzenes Cyclodextrins Inclusion complexes azobenzene derivative cyclodextrin article calculation complex formation energy mechanics stoichiometry We analyze theoretically the stabilization process when several azobenzenes form complexes of 1:2 stoichiometry starting from simple 1:1 associations instead of three isolated molecules. We resort to molecular mechanics calculations using the modified version of MM2 and applying some geometrical restrictions. Results are compared with experimental data and a satisfactory enough agreement is found between both data sources. © 2001 Elsevier Science B.V. 2001 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v537_n1_p235_Barbiric http://hdl.handle.net/20.500.12110/paper_01661280_v537_n1_p235_Barbiric |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Azobenzenes Cyclodextrins Inclusion complexes azobenzene derivative cyclodextrin article calculation complex formation energy mechanics stoichiometry |
| spellingShingle |
Azobenzenes Cyclodextrins Inclusion complexes azobenzene derivative cyclodextrin article calculation complex formation energy mechanics stoichiometry Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| topic_facet |
Azobenzenes Cyclodextrins Inclusion complexes azobenzene derivative cyclodextrin article calculation complex formation energy mechanics stoichiometry |
| description |
We analyze theoretically the stabilization process when several azobenzenes form complexes of 1:2 stoichiometry starting from simple 1:1 associations instead of three isolated molecules. We resort to molecular mechanics calculations using the modified version of MM2 and applying some geometrical restrictions. Results are compared with experimental data and a satisfactory enough agreement is found between both data sources. © 2001 Elsevier Science B.V. |
| title |
Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| title_short |
Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| title_full |
Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| title_fullStr |
Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| title_full_unstemmed |
Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| title_sort |
inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: a molecular mechanics study |
| publishDate |
2001 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v537_n1_p235_Barbiric http://hdl.handle.net/20.500.12110/paper_01661280_v537_n1_p235_Barbiric |
| _version_ |
1768542032106618880 |