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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/B3LYP_BS1_optimized_structures ga_b3l_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.02551553; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ga_bp86db_TSdmad	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.33042789; Eh
	19-Nov-2018	/SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_transition-state	Van der Kamp, Marc; Serapian, Stefano	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	-	-1612.70877963; Eh
	30-Mar-2022	TS_DA	Laconsay, Croix	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-1358.12022632; Eh
	30-May-2022	TS2	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-3711.03757680; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_CA_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8599318; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_TA_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8509735; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_cis_iso_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8790084; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_CT_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8726319; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_TT_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8650826; Eh

Results 41-50 of 177 (Search time: 0.001 seconds).