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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2021	fe4co4_Li_2H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15043.9196929; Eh
	30-Aug-2021	fe4co4_Li_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-14967.6333872; Eh
	30-Aug-2021	fe4co4_Na_2H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15198.5364199; Eh
	30-Aug-2021	fe4co4_Na_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15122.2591540; Eh
	30-Aug-2021	fe4co4_Li	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-14891.2897316; Eh
	30-Aug-2021	fe4co4_Na	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15045.9346420; Eh
	30-Aug-2021	Li(H2O)4	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-312.660656596; Eh
	30-Aug-2021	H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-76.2837497981; Eh
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_32_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.44335227; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_31_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.48451445; eV

Results 63491-63500 of 104471 (Search time: 0.041 seconds).