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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jun-2024	/631Gd/LC_wHPBE TS2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RLC-wHPBE	6-31G(D)	-347.776850130; Eh
	14-Jun-2024	/631Gd/revTPSSrevTPSS TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RrevTPSSrevTPSS	6-31G(D)	-348.000163141; Eh
	14-Jun-2024	/631Gd/HSEH1PBE TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RHSEH1PBE	6-31G(D)	-347.640837211; Eh
	14-Jun-2024	/631Gd/B3PW91 TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3PW91	6-31G(D)	-347.887567707; Eh
	14-Jun-2024	/def2SVP/B3LYP TS2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-347.769266948; Eh
	14-Jun-2024	/631Gd/mpw1pw91 TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RmPW1PW91	6-31G(D)	-347.938706666; Eh
	14-Jun-2024	/def2SVP/tHCTHhyb TS2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RtHCTHhyb	DEF2SVP	-347.720570630; Eh
	14-Jun-2024	/def2SVP/wB97X TS2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97X	DEF2SVP	-347.673612808; Eh
	14-Jun-2024	/631Gd/B97D3 TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB97D3	6-31G(D)	-347.796488801; Eh
	14-Jun-2024	/def2SVP/APFD TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	DEF2SVP	-347.477784803; Eh

Results 1741-1750 of 1757 (Search time: 0.003 seconds).