http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2019093395-A1
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_716e9a2606ffd4ba1a2a3917e4a402fd |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07B61-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07D209-14 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C09K11-06 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07D209-14 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07B61-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C09K11-06 |
| filingDate | 2018-11-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_b46a5c643d7fdc8d35cb10be84933970 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_973b1a96c1c2e41d72128ff4c58bf4e1 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_b2b19d1dbe463bccece51ecb7eb9956c http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1dae766adf0b67fd26c788654319479d http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_878eeef046a9977dd68782026983187b |
| publicationDate | 2019-05-16-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | WO-2019093395-A1 |
| titleOfInvention | Method for designing molecule, program, host material, luminescent molecule, and organic light-emitting element |
| abstract | Molecular designing is carried out on the basis of the fact that, when the off−diagonal vibronic coupling constant with respect to a reference vibration mode α between a first electronic state n and a second electronic state m where the energy is lower than that in the first electronic state n in a molecule is defined as V mn,α , a square sum V 2 of V mn,α which is represented by formula (1) and a non-radiative transition rate constant k nr of the internal transition from the first electronic state n to the second electronic state m corelate with each other. As a result, the molecular designing can be carried out in such a manner that the non-radiative transition of the molecule is controlled accurately while reducing the cost for calculations. Ψ n represents an electronic wave function at the first electronic state n, Ψ m represents an electronic wave function at the second electronic state m, x represents a spatial coordinate or a spin coordinate of N electrons contained in the molecule, r represents a spatial coordinate of N electrons contained in the molecule, R represents a spatial coordinate of M cores contained in the molecule, H(r,R) represents a molecular hamiltonian, R 0 represents a reference core position, and Q α represents a mass-weighted reference vibrational coordinate of the reference vibration mode α. |
| priorityDate | 2017-11-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 50.