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DOI: 10.19061/iochem-bd-7-7
No other publication derived
View as
- ROOT
- crystal
- fe_oep_2meim2_clo4_cryst
- fe_oep_2meim_clo4_ch2br2_cryst
- fe_oetpp_2meim_clo4_cryst
- fe_tpp_2meim2_clo4_thf_h2o_cryst
- fe_tpp_thf2_cryst
- excised
- fe_oep_2meim+
- fe_oep_2meim2+
- fe_oetpp_2meim+
- fe_tpp
- fe_tpp_2meim2+
- fe_tpp_thf2
- excised_pw
- fe_oep_2meim+
- fe_oep_2meim2+
- fe_oetpp_2meim+
- fe_tpp_2meim2+
- fe_tpp_thf2
- isolated
- fe_oep_2meim+
- fe_oep_2meim2+
- fe_oetpp_2meim+
- fe_tpp
- fe_tpp_2meim2+
- fe_tpp_thf2
- porphin_models
- fe_p
- fe_p_2meim+
- fe_p_2meim2+
- fe_p_thf2
- crystal
Discover
Subject
- 74 Crystal structure
- 74 Iron
- 74 Porphyrinoids
- 74 Spin states
Program name
- 38 TURBOMOLE
- 36 QuantumEspresso
Calculation type
Method
- 36 SLA PW PBX PBC
- 35 U-DFT
- 3 DFT