Selecionar estruturas na literatura com alta cristalinidade e comparar os parâmetros de célula

[lipelopesoliveira]

O que deve ser feito?

Selecionar estruturas de COFs que apresentem alta cristalinidade para comparar os dados com as estruturas geradas pelo pyCOFBbuilder

O que será obtido ao final dessa tarefa?

Uma lista de estruturas e arquivos .cif

Possui prazo limite ce conclusão?

Não

Mais alguma outra coisa?

Não

COFs selecionados:

• [ ] C4_TRE_NH2_H-C2_BENZ_CHO_H-KGM_A-AA
• [ ] C3_TPBZ_NH2_H-C2_BENZ_CHO_OMe-HCB_A-AA
• [ ] C3_TPTZ_NH2_H-C3_TPTZ_CHO_H-HCB-AA
• [ ] C6_HFPTP_CHO_H-C2_BPNY_NH2_H-HXL_A-AA
• [ ] C4_TPPY_CHO_H-C4_TRE_NH2_H-KGM-AA
• [ ] C3_TPBZ_NH2_H-C2_BENZ_CHO_Me-HCB_A-AA
• [ ] C4_TRE_NH2_H-C2_DPBY_CHO_H-KGM_A-AA
• [ ] C4_TTF_CHO_H-C4_PHPR_NH2_H-KGM-AA
• [ ] C4_PER_NH2_H-C2_BENZ_CHO_H-KGM_A-AA
• [ ] C4_PER_NH2_H-C2_NAPT_CHO_H-KGM_A-AA
• [ ] C4_PER_NH2_H-C2_PYRN_CHO_H-KGM_A-AA
• [ ] C3_STAR_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C3_STAR_OH2-C2_PYRN_BOH2-KGM_A-AA
• [ ] C3_STAR_OH2-C2_BPNY_BOH2-KGM_A-AA
• [ ] C3_DBA1_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C3_STAR1_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C3_STAR_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C3_DBA1_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C3_DBA2_OH2-C2_BENZ_BOH2-KGM_A-AA
• [ ] C4_TRE_BOH2_H-C2_BENZ_OH2_H-KGM_A-AA
• [ ] C3_TPBZ_NH2-C3_BENZ_CHO-KGM-AA
• [ ] C3_BENZ_CHO-C2_BENZ_NH2-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_BENZ_NH2_Me-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_BPNY_NH2_H-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_BPNY_NH2_Me-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_BPNY_NH2_Ome-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_2BPD_NH2_H-KGM_A-AA
• [ ] C3_BENZ_CHO-C2_TPNY_NH2_H-KGM_A-AA
• [ ] PRECISA RESLVER O COF-1
• [ ] C3_TPNY_OH2-C2_BENZ-BOH2-KGM_A-AA
• [ ] C3_TPNY_OH2-C3_BENZ-BOH2-KGM-AA
• [ ] C3_TPNY_OH2-C3_TPBZ-BOH2-KGM-AA
• [ ] C3_TPNY_OH2-C2_BPNY-BOH2-KGM_A-AA
• [ ] C3_BENZ_CHO_H-C2_BENZ_CONHNH2_Oet_KGM_A-AA
• [ ] C3_TPBY_CHO_H-C2_BENZ_CONHNH2_Oet_KGM_A-AA
• [ ] C3_TPBY_CHO_H-C2_BENZ_NH2_OH_KGM_A-AA
• [ ] C3_TPBY_NH2_H-C2_BENZ_CHO_OM_KGM_A-AA
• [ ] C3_TPAM_NH2_H-C2_INTO_O_H-KGM_A-AA
• [ ] C3_TPBZ_NH2_H-C2_INTO_O_H-KGM_A-AA
• [ ] C3_TBBZ_NH2_H-C2_INTO_O_H-KGM_A-AA
• [ ] C3_TPBZ_NH2_H-C2_PTCD_O_H-KGM_A-AA
• [ ] C3_TPBZ_NH2_H-C2_INTO_O_H-KGM_A-AA
• [ ] C3_BENZ_CHO_OH-C2_BENZ_NH2_H-KGM_A-AA
• [ ] C3_BENZ_CHO_OH-C2_ANTR_NH2_O-KGM_A-AA
• [ ] C3_TPOB_CHO_H-C2_BENZ_NH2_H-KGM_A-AA
• [ ] C3_TPOB_CHO_H-C2_HDZ_NH2-KGM_A-AA
• [ ] C4_TRE_NH2_H-C2_BENZ_CHO_H-KGM_A-AA
• [ ] C4_TPPY_NH2_H-C2_BENZ_CHO_H-KGM_A-AA
• [ ] C4_TPPY_NH2_H-C4_TRE_CHO_H-KGM-AA

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