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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Jun-2022	TS1-dash	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-1664.72554149; Eh
	5-Jun-2022	IM8	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-1647.03925672; Eh
	5-Jun-2022	TS1	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-1680.97628311; Eh
	5-Jun-2022	TS5	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-1647.00456270; Eh
	17-Jun-2022	IM5_truncated-decarbonylation-TS	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-2742.27981033; Eh
	17-Jun-2022	IM3_truncated-COinsertion-TS	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-2665.90241222; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-4320.09035170; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_cis_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.76862866; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.77041309; Eh

Results 61-70 of 207 (Search time: 0.002 seconds).