Please wait, while we are loading the content...
Please wait, while we are loading the content...
| Content Provider | Springer Nature Link |
|---|---|
| Author | Radenković, Slavko Marković, Svetlana Kuč, Ratko Stanković, Nevena |
| Copyright Year | 2011 |
| Abstract | An electronic structure study of singlet and triplet states of two series of polyacenequinododimethides was performed using the B3LYP method. It was found that the ground state of all examined polyacenequinododimethides is a singlet with significant diradical character. The diradical character of the compounds under investigation was estimated using the unrestricted symmetry-broken and complete active space methods. It was shown that polyacene-2,3-quinododimethides have more pronounced diradical character than polyacene-2,x-quinododimethides. The diradical character of polyacene-2,x-quinododimethides monotonically increases with their increasing molecular size. Within the series of polyacene-2,3-quinododimethides the diradical character is not a monotonic function of the number of hexagons. It was found that pentacene-2,3-quinododimethide has the most pronounced diradical character in this series. It can be predicted on the basis of the singlet–triplet gap values that even higher polyacenequinododimethides will be singlet, but not triplet molecules. |
| Starting Page | 1013 |
| Ending Page | 1019 |
| Page Count | 7 |
| File Format | |
| ISSN | 00269247 |
| Journal | Monatshefte für Chemie - Chemical Monthly |
| Volume Number | 142 |
| Issue Number | 10 |
| e-ISSN | 14344475 |
| Language | English |
| Publisher | Springer Vienna |
| Publisher Date | 2011-07-19 |
| Publisher Place | Vienna |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Polycyclic aromatic hydrocarbons Singlet–triplet gap Density functional theory Electronic structure Diradicals Singlet diradicals Inorganic Chemistry Chemistry/Food Science Organic Chemistry Analytical Chemistry Theoretical and Computational Chemistry Physical Chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry |
National Digital Library of India (NDLI) is a virtual repository of learning resources which is not just a repository with search/browse facilities but provides a host of services for the learner community. It is sponsored and mentored by Ministry of Education, Government of India, through its National Mission on Education through Information and Communication Technology (NMEICT). Filtered and federated searching is employed to facilitate focused searching so that learners can find the right resource with least effort and in minimum time. NDLI provides user group-specific services such as Examination Preparatory for School and College students and job aspirants. Services for Researchers and general learners are also provided. NDLI is designed to hold content of any language and provides interface support for 10 most widely used Indian languages. It is built to provide support for all academic levels including researchers and life-long learners, all disciplines, all popular forms of access devices and differently-abled learners. It is designed to enable people to learn and prepare from best practices from all over the world and to facilitate researchers to perform inter-linked exploration from multiple sources. It is developed, operated and maintained from Indian Institute of Technology Kharagpur.
Learn more about this project from here.
NDLI is a conglomeration of freely available or institutionally contributed or donated or publisher managed contents. Almost all these contents are hosted and accessed from respective sources. The responsibility for authenticity, relevance, completeness, accuracy, reliability and suitability of these contents rests with the respective organization and NDLI has no responsibility or liability for these. Every effort is made to keep the NDLI portal up and running smoothly unless there are some unavoidable technical issues.
Ministry of Education, through its National Mission on Education through Information and Communication Technology (NMEICT), has sponsored and funded the National Digital Library of India (NDLI) project.
| Sl. | Authority | Responsibilities | Communication Details |
|---|---|---|---|
| 1 | Ministry of Education (GoI), Department of Higher Education |
Sanctioning Authority | https://www.education.gov.in/ict-initiatives |
| 2 | Indian Institute of Technology Kharagpur | Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project | https://www.iitkgp.ac.in |
| 3 | National Digital Library of India Office, Indian Institute of Technology Kharagpur | The administrative and infrastructural headquarters of the project | Dr. B. Sutradhar bsutra@ndl.gov.in |
| 4 | Project PI / Joint PI | Principal Investigator and Joint Principal Investigators of the project |
Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon |
| 5 | Website/Portal (Helpdesk) | Queries regarding NDLI and its services | support@ndl.gov.in |
| 6 | Contents and Copyright Issues | Queries related to content curation and copyright issues | content@ndl.gov.in |
| 7 | National Digital Library of India Club (NDLI Club) | Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach | clubsupport@ndl.gov.in |
| 8 | Digital Preservation Centre (DPC) | Assistance with digitizing and archiving copyright-free printed books | dpc@ndl.gov.in |
| 9 | IDR Setup or Support | Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops | idr@ndl.gov.in |
|
Loading...
|