GitHub - drmewes/tadf: QC Calculations on TADF Emitters

drmewes / tadf Public

QC Calculations on TADF Emitters

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Name		Name	Last commit message	Last commit date
Latest commit History 70 Commits
ADDUCTs		ADDUCTs
ANDBA-Cz		ANDBA-Cz
ANDBA-DiEt-ACR		ANDBA-DiEt-ACR
ANDBA-DiEt-NPh3		ANDBA-DiEt-NPh3
ANDBA-DiEt-OMe		ANDBA-DiEt-OMe
ANDBA-DiEt-PXZ		ANDBA-DiEt-PXZ
ANDBA-MeEt-DPTZ		ANDBA-MeEt-DPTZ
ANDBA-MeEt-MeCz		ANDBA-MeEt-MeCz
ANDBA-MeEt-NPh3		ANDBA-MeEt-NPh3
ANDBA-MeEt-OMe		ANDBA-MeEt-OMe
ANDBA-NPh3		ANDBA-NPh3
ANDBA-NaMe		ANDBA-NaMe
ANDBA-OMe+Ethyl/MOM_OPT/TRANSPROP		ANDBA-OMe+Ethyl/MOM_OPT/TRANSPROP
ANDBA-OMe+MeEt		ANDBA-OMe+MeEt
ANDBA-OMe		ANDBA-OMe
ANDBA		ANDBA
DIANDBA		DIANDBA
DONORS		DONORS
EXCITATIONS_TDA		EXCITATIONS_TDA
GSOPT+PCM		GSOPT+PCM
MOM_OPT		MOM_OPT
OPTIMIZE_TDA		OPTIMIZE_TDA
PLOTS		PLOTS
PhenDBA-DiEt-DMAc		PhenDBA-DiEt-DMAc
PhenDBA		PhenDBA
TRANSPROP_TDA+SS-PCM		TRANSPROP_TDA+SS-PCM
Yersin		Yersin
iDBP-DiEt-NPh3		iDBP-DiEt-NPh3
.gitignore		.gitignore
gsopt_newqc.in		gsopt_newqc.in
s1opt_newqc.in		s1opt_newqc.in
ut1opt_tol.in		ut1opt_tol.in