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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2024	im4-tz	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP	-2468.5934159; Eh
	17-May-2024	/thermal/Fe2Mn3/ac1 ac1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2506074; Eh
	17-May-2024	/thermal/Fe2Mn3/ac3 ac3-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2604254; Eh
	17-May-2024	/thermal/Fe3Mn2/aa2 aa2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9542671; Eh
	17-May-2024	/thermal/Fe4Mn1/c2 c2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10597.6640521; Eh
	13-Dec-2023	B12I11_CH3S	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-4013.15396870; Eh
	13-Dec-2023	B12I11H_1-_R	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3575.56565697; Eh
	31-Jan-2024	/NLO_props C3PLi_NLOPs	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	6-31+G(D) 6-31G(D) GEN	-752.3250279; Eh
	31-Jan-2024	/NLO_props C4PLi_NLOPs	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	6-31+G(D) 6-31G(D) GEN	-1000.635465; Eh
	8-Jan-2024	cisa-cisb	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UB3LYP	DEF2SVP	-2466.45579599; Eh

Results 791-800 of 907 (Search time: 0.002 seconds).