Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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American Chemical Society
2025-01-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.4c06520 |
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| author | Pooja Mohandas Abdul Ajees Abdul Salam Thripthi Nagesh Shenoy Srinivasulu Maddasani Santanu Kumar Pal Channabasaveshwar V. Yelamaggad |
| author_facet | Pooja Mohandas Abdul Ajees Abdul Salam Thripthi Nagesh Shenoy Srinivasulu Maddasani Santanu Kumar Pal Channabasaveshwar V. Yelamaggad |
| author_sort | Pooja Mohandas |
| collection | DOAJ |
| format | Article |
| id | doaj-art-2b6d913ed16840a58dffbc7c42c6079b |
| institution | Kabale University |
| issn | 2470-1343 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj-art-2b6d913ed16840a58dffbc7c42c6079b2025-02-11T09:04:50ZengAmerican Chemical SocietyACS Omega2470-13432025-01-011054336435210.1021/acsomega.4c06520Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoatePooja Mohandas0Abdul Ajees Abdul Salam1Thripthi Nagesh Shenoy2Srinivasulu Maddasani3Santanu Kumar Pal4Channabasaveshwar V. Yelamaggad5Department of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, IndiaDepartment of Atomic and Molecular Physics, Manipal Academy of Higher Education, Manipal, Karnataka, IndiaDepartment of Atomic and Molecular Physics, Manipal Academy of Higher Education, Manipal, Karnataka, IndiaDepartment of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, IndiaDepartment of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Manauli, IndiaDepartment of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, Indiahttps://doi.org/10.1021/acsomega.4c06520 |
| spellingShingle | Pooja Mohandas Abdul Ajees Abdul Salam Thripthi Nagesh Shenoy Srinivasulu Maddasani Santanu Kumar Pal Channabasaveshwar V. Yelamaggad Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate ACS Omega |
| title | Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate |
| title_full | Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate |
| title_fullStr | Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate |
| title_full_unstemmed | Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate |
| title_short | Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate |
| title_sort | structural csd molecular docking molecular dynamics and hirshfeld surface analysis of a new mesogen methyl 4 5 4 octyloxy phenyl 1 2 4 oxadiazol 3 yl benzoate |
| url | https://doi.org/10.1021/acsomega.4c06520 |
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