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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Aug-2020	SiW11Ni-2NO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4398.25937192; Eh
	18-Aug-2020	SiW11-Fe-HNO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4223.28176909; Eh
	18-Aug-2020	SiW11Fe-TS1	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4223.25316285; Eh
	18-Aug-2020	SiW11Fe-TS1-HSM	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4299.62079875; Eh
	18-Aug-2020	SiW11Fe-TS2-HSM	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4300.22548870; Eh
	18-Aug-2020	SiW11Fe-TS2	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4223.85102890; 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
	18-Aug-2020	SiW11Ni-NHOH	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4269.73475960; Eh
	18-Aug-2020	SiW11Ni-HNO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4269.11017373; Eh
	18-Aug-2020	SiW11Ni-NO	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	6-31G(D,P) LANL2DZ GEN	-4268.50917489; Eh

Results 11-20 of 23 (Search time: 0.001 seconds).