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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2020	ybtrensal_optimisation	Kragskow, Jon	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	CC-PVDZ CC-PVTZ GEN	-2647.80230730; Eh
	9-Nov-2022	TS1_T	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-3360.95501805; Eh
	18-Aug-2020	SiW11Fe-NO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4222.69386174; Eh
	18-Aug-2020	SiW11Fe-S5	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4092.92154557; Eh
	18-Aug-2020	SiW11Fe-NH2-H2O	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4225.16063215; Eh
	18-Aug-2020	SiW11Fe-NH2OH	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4224.53789801; Eh
	18-Aug-2020	SiW11Fe-NH3	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4225.81596228; Eh
	18-Aug-2020	SiW11Fe-2NO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4352.42074965; Eh
	18-Aug-2020	SiW11Ni-NH3	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4271.65340999; Eh
	18-Aug-2020	SiW11Fe-NH4	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4226.28314465; Eh

Results 1-10 of 125 (Search time: 0.001 seconds).