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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Jul-2022	/Davies_Ph Davies_Ph_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.72387225; Eh
20-Jul-2022	/Davies_Ph Davies_Ph_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70477871; Eh
20-Jul-2022	/Davies_Ph Davies_Ph_TT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.71836310; Eh
20-Jul-2022	/Davies_Ph Davies_Ph_TA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70477871; Eh
20-Jul-2022	/Davies_Ph Davies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.71836310; Eh
20-Jul-2022	/triplet_state Bach_iPr_CA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4319.9902614; Eh
28-Mar-2024	/benchmark R_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-772.803953955; Eh
28-Mar-2024	/benchmark TS1_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	6-31G(D,P)	-772.778957220; Eh
28-Mar-2024	/benchmark P1_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-772.843667149; Eh

Results 21-29 of 29 (Search time: 0.001 seconds).