GitHub - aspuru-guzik-group/ElAgenteEstructuralCaseStudies: This repo contains raw data result from Estructural agent geometry manipulations.

Name		Name	Last commit message	Last commit date
Latest commit History 18 Commits
Case_stduy5C_ferrocene_project		Case_stduy5C_ferrocene_project
Case_stduy5C_ferrocene_scan_project		Case_stduy5C_ferrocene_scan_project
Case_study1A_spermidine_protection_project		Case_study1A_spermidine_protection_project
Case_study1B_porphyrin_phenyl_project		Case_study1B_porphyrin_phenyl_project
Case_study2_CoPc_ligand_binding_project		Case_study2_CoPc_ligand_binding_project
Case_study3A_isomers_project		Case_study3A_isomers_project
Case_study3B_zirconocene_project		Case_study3B_zirconocene_project
Case_study3C_sumanene_project		Case_study3C_sumanene_project
Case_study4A_MoCl3PNP_derivatives_project		Case_study4A_MoCl3PNP_derivatives_project
Case_study4B_ligand_exchange_project		Case_study4B_ligand_exchange_project
Case_study5A_isomers_and_enantiomers_project		Case_study5A_isomers_and_enantiomers_project
Case_study5B_fragment_identification_project		Case_study5B_fragment_identification_project
Case_study6_ethylene_insertion_project		Case_study6_ethylene_insertion_project
Case_study7_chem_reasoning_TS		Case_study7_chem_reasoning_TS
.gitignore		.gitignore

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