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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2022	/enamine/toluene TS3c_toluene	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM062X	6-31G(D)	-1885.61574828; Eh
	9-Nov-2022	/enamine/toluene TS2c_toluene	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM062X	6-31G(D)	-1885.61158314; Eh
	9-Nov-2022	/enamine/toluene TS1c_toluene	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM062X	6-31G(D)	-1885.62032664; Eh
	10-Aug-2020	Mn_N-PCo3-Eooh-b3lyp-hs-pcmb-freq-forward_2e-1bb-freq-retry	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7791.34525498; Eh
	10-Aug-2020	Mn_N-PCo3-Eo-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7715.54898232; Eh
	10-Aug-2020	Mn_N-PCo3-Eoh-b3lyp-hs-pcm-disp-fbb-disp-fbb-freq-forward_4e-1bb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7716.21519487; Eh
	16-Mar-2021	N1+_T_TZVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-
	8-Mar-2021	syn_11_ap_8_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	16-Mar-2021	N1+_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2SVP	-
	8-Mar-2021	syn_11_ap_conf_5_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-

Results 1-10 of 7719 (Search time: 0.003 seconds).