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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2020	4	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.6859534; Eh
	23-Jun-2020	TS4_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.6446844; Eh
	23-Jun-2020	4_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.7025235; Eh
	29-Apr-2024	/CHD/parallel/RC/ferro FeIIIOH_CHD_OOCCF3_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2869.0486795; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_carboxylate-tethered_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2729.3959525; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_carboxylate-untethered_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2769.8873802; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_thiolate_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2978.3260618; Eh
	29-Apr-2024	/CHD/parallel/RC/ferro FeIIIOH_CHD_NC_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2435.974704; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_OOCCF3_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-3067.3843791; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/antiferro FeIIIOH_2F-CHD_carboxylate-untethered_PARALLEL_RC_antiferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2769.8972192; Eh

Results 131-140 of 142 (Search time: 0.001 seconds).