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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Sep-2023	asty	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-309.307660952; Eh
	8-Sep-2023	dsty-bbcc	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.768729215; Eh
	8-Sep-2023	dsty-bcba	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.778531838; Eh
	8-Sep-2023	dsty-bcbb	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.779094255; Eh
	8-Sep-2023	dsty-bcac	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.776318427; Eh
	8-Sep-2023	dsty-bcaa	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.777855752; Eh
	8-Sep-2023	dsty-bcab	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.776709572; Eh
	8-Sep-2023	dsty-bcbc	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.777735286; Eh
	8-Sep-2023	dsty-bcca	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.773014535; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_OH V6-OH_pbe1pbe	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RPBE1PBE	DEF2TZVPP	-7634.30180986; Eh

Results 411-420 of 444 (Search time: 0.002 seconds).