DFT simulation of S1, S3 and S4
<p dir="ltr">The HOMO and LUMO information is extracted by running the DFT simulation.</p>
محفوظ في:
| المؤلف الرئيسي: | |
|---|---|
| منشور في: |
2025
|
| الموضوعات: | |
| الوسوم: |
إضافة وسم
لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!
|
| _version_ | 1852021478397050880 |
|---|---|
| author | Manmohan Dash (19809591) |
| author_facet | Manmohan Dash (19809591) |
| author_role | author |
| dc.creator.none.fl_str_mv | Manmohan Dash (19809591) |
| dc.date.none.fl_str_mv | 2025-04-07T22:28:43Z |
| dc.identifier.none.fl_str_mv | 10.6084/m9.figshare.28746326.v1 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/figure/DFT_simulation_of_S1_S3_and_S4/28746326 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Condensed matter modelling and density functional theory carbazole tri-phosphineoxide TPA and Diphenylphosphineoxide DFT simulation |
| dc.title.none.fl_str_mv | DFT simulation of S1, S3 and S4 |
| dc.type.none.fl_str_mv | Image Figure info:eu-repo/semantics/publishedVersion image |
| description | <p dir="ltr">The HOMO and LUMO information is extracted by running the DFT simulation.</p> |
| eu_rights_str_mv | openAccess |
| id | Manara_fbdd40dab70a643c1bcc2b5e75fd26cd |
| identifier_str_mv | 10.6084/m9.figshare.28746326.v1 |
| network_acronym_str | Manara |
| network_name_str | ManaraRepo |
| oai_identifier_str | oai:figshare.com:article/28746326 |
| publishDate | 2025 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | DFT simulation of S1, S3 and S4Manmohan Dash (19809591)Condensed matter modelling and density functional theorycarbazole tri-phosphineoxideTPA and DiphenylphosphineoxideDFT simulation<p dir="ltr">The HOMO and LUMO information is extracted by running the DFT simulation.</p>2025-04-07T22:28:43ZImageFigureinfo:eu-repo/semantics/publishedVersionimage10.6084/m9.figshare.28746326.v1https://figshare.com/articles/figure/DFT_simulation_of_S1_S3_and_S4/28746326CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/287463262025-04-07T22:28:43Z |
| spellingShingle | DFT simulation of S1, S3 and S4 Manmohan Dash (19809591) Condensed matter modelling and density functional theory carbazole tri-phosphineoxide TPA and Diphenylphosphineoxide DFT simulation |
| status_str | publishedVersion |
| title | DFT simulation of S1, S3 and S4 |
| title_full | DFT simulation of S1, S3 and S4 |
| title_fullStr | DFT simulation of S1, S3 and S4 |
| title_full_unstemmed | DFT simulation of S1, S3 and S4 |
| title_short | DFT simulation of S1, S3 and S4 |
| title_sort | DFT simulation of S1, S3 and S4 |
| topic | Condensed matter modelling and density functional theory carbazole tri-phosphineoxide TPA and Diphenylphosphineoxide DFT simulation |