Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
Gespeichert in:
| Weitere Verfasser: | , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
2014
|
| In: |
The journal of chemical physics
Year: 2014, Jahrgang: 140, Heft: 10 |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.4867077 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1063/1.4867077
|
| Verfasserangaben: | Adam Kubas, Felix Hoffmann, Alexander Heck, Harald Oberhofer, Marcus Elstner and Jochen Blumberger |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 1502882337 | ||
| 003 | DE-627 | ||
| 005 | 20230426120229.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 150516s2014 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1063/1.4867077 |2 doi | |
| 035 | |a (DE-627)1502882337 | ||
| 035 | |a (DE-576)432882332 | ||
| 035 | |a (DE-599)BSZ432882332 | ||
| 035 | |a (OCoLC)1340691814 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 084 | |a 29 |2 sdnb | ||
| 245 | 0 | 0 | |a Electronic couplings for molecular charge transfer |b benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations |c Adam Kubas, Felix Hoffmann, Alexander Heck, Harald Oberhofer, Marcus Elstner and Jochen Blumberger |
| 264 | 1 | |c 2014 | |
| 300 | |a 21 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 16.05.2015 | ||
| 700 | 1 | |a Kubas, Adam |0 (DE-588)1025211138 |0 (DE-627)721575706 |0 (DE-576)370084020 |4 oth | |
| 700 | 1 | |a Elstner, Marcus |0 (DE-588)173059899 |0 (DE-627)697984133 |0 (DE-576)133912388 |4 oth | |
| 773 | 0 | 8 | |i In |t The journal of chemical physics |d Melville, NY : American Institute of Physics, 1933 |g 140(2014,10) Artikel-Nr. 104105, 21 S. |h Online-Ressource |w (DE-627)268760675 |w (DE-600)1473050-9 |w (DE-576)077610261 |x 1089-7690 |7 nnas |a Electronic couplings for molecular charge transfer benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations |
| 773 | 1 | 8 | |g volume:140 |g year:2014 |g number:10 |g extent:21 |a Electronic couplings for molecular charge transfer benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1063/1.4867077 |x Verlag |x Resolving-System |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20150516 | ||
| 993 | |a Article | ||
| 994 | |a 2014 | ||
| 998 | |g 173059899 |a Elstner, Marcus |m 173059899:Elstner, Marcus |d 700000 |d 723000 |e 700000PE173059899 |e 723000PE173059899 |k 0/700000/ |k 1/700000/723000/ | ||
| 999 | |a KXP-PPN1502882337 |e 2844501044 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"recId":"1502882337","language":["eng"],"type":{"media":"Online-Ressource","bibl":"article-journal"},"note":["Gesehen am 16.05.2015"],"person":[{"family":"Kubas","given":"Adam","display":"Kubas, Adam","role":"oth"},{"display":"Elstner, Marcus","role":"oth","family":"Elstner","given":"Marcus"}],"title":[{"title_sort":"Electronic couplings for molecular charge transfer","title":"Electronic couplings for molecular charge transfer","subtitle":"benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations"}],"relHost":[{"type":{"bibl":"periodical","media":"Online-Ressource"},"disp":"Electronic couplings for molecular charge transfer benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculationsThe journal of chemical physics","note":["Gesehen am 16.06.2023"],"recId":"268760675","language":["eng"],"pubHistory":["1.1933 -"],"part":{"issue":"10","year":"2014","extent":"21","text":"140(2014,10) Artikel-Nr. 104105, 21 S.","volume":"140"},"title":[{"title_sort":"journal of chemical physics","title":"The journal of chemical physics","subtitle":"bridges a gap between journals of physics and journals of chemistry"}],"physDesc":[{"extent":"Online-Ressource"}],"name":{"displayForm":["American Institute of Physics"]},"origin":[{"publisherPlace":"Melville, NY","dateIssuedKey":"1933","publisher":"American Institute of Physics","dateIssuedDisp":"1933-"}],"id":{"issn":["1089-7690"],"eki":["268760675"],"zdb":["1473050-9"]}}],"physDesc":[{"extent":"21 S."}],"name":{"displayForm":["Adam Kubas, Felix Hoffmann, Alexander Heck, Harald Oberhofer, Marcus Elstner and Jochen Blumberger"]},"id":{"doi":["10.1063/1.4867077"],"eki":["1502882337"]},"origin":[{"dateIssuedKey":"2014","dateIssuedDisp":"2014"}]} | ||
| SRT | |a ELECTRONIC2014 | ||