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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/generics/BS2 Br	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-2574.3216548; Eh
	9-May-2024	/Pd/BS1/NHC A2	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-3235.91668583; Eh
	9-May-2024	/Pd/BS1/NHC A3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1148.59386800; Eh
	9-May-2024	/Pd/BS1/NHC A1	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-3235.87494107; Eh
	9-May-2024	/Pd/BS1/NHC TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1148.56733898; Eh
	9-May-2024	/Pd/BS1/NHC A5	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-896.134679499; Eh
	9-May-2024	/Pd/BS1/NHC A4	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-896.086484135; Eh
	9-May-2024	/Pd/BS1/NHC A0	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-737.661968631; Eh
	6-Sep-2024	/PBE/Mo Mo08O35-15H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_198 disp_198	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60635087; eV

Results 71571-71580 of 104445 (Search time: 0.042 seconds).