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Fentanyl_Protomers Collection home page
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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-538
No other publication derived
View as
- ROOT
- Bare_ion
- Amide-N-prot
- CCSDT
- DFT_OptFreq
- TDDFT_VGFC
- O-prot
- CCSDT
- DFT_OptFreq
- TDDFT_VGFC
- piperidine-N-prot
- CCSDT
- DFT_OptFreq
- TDDFT_VGFC
- Amide-N-prot
- Microsolvation
- Bare_ion
Discover
Subject
- 101 Fentanyl
- 101 Franck-Condon
- 101 Mircosolvation
- 101 Opioids
Program name
- 101 Orca
Calculation type
Method
- 45 DFT
- 30 TDDFT
- 26 DLPNO-CCSD(T)