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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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/BMK B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBMK	6-31G(D)	-347.778518754; Eh
	14-Jun-2024	/def2SVP/APFD A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	DEF2SVP	-347.491331391; Eh
	14-Jun-2024	/def2SVP/D3BJ_PBE1PBE A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-347.381510315; Eh
	14-Jun-2024	/def2SVP/CAM_B3LYP B	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP	DEF2SVP	-347.556745394; 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/LC_wHPBE A	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RLC-wHPBE	DEF2SVP	-347.529195009; Eh

Results 320081-320090 of 320216 (Search time: 0.321 seconds).