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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-May-2024	/thermal/Fe3Mn2/aa1 aa1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9626809; Eh
	17-May-2024	/thermal/Fe3Mn2/cc1 cc1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9474270; Eh
	17-May-2024	/thermal/Fe2Mn3/ac2 ac2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2451960; Eh
	17-May-2024	/thermal/Fe2Mn3/cc2 cc2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2704897; Eh
	17-May-2024	/thermal/Fe4Mn1/c1 c1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10597.6507030; Eh
	17-May-2024	/thermal/Fe1Mn4/c1 c1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10259.5533029; Eh
	17-May-2024	/thermal/Fe4Mn1/a1 a1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10597.6597723; Eh
	17-May-2024	/thermal/Fe1Mn4/a2 a2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10259.5176086; Eh
	8-Jan-2024	im2-trans	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UB3LYP	DEF2SVP	-2466.42564861; Eh
	8-Jan-2024	im3-trans	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UB3LYP	DEF2SVP	-2466.42338779; Eh

Results 31-40 of 111 (Search time: 0.0 seconds).