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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2018	/bulk_opt/magnetic_determination ferro	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-110.58245675; eV
	24-Apr-2020	BN_pdsa	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2126.00171161; eV
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-Cu(dmphen)-E-p02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-890.86206539; eV
	11-Sep-2023	/intermediates-electric-field Cu(100)-6x6-Cu(dmphen)-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-881.93442768; eV
	26-Feb-2024	ch3c6h4ome_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-386.191521830; Eh
	26-Feb-2024	ch3co_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-153.081617451; Eh
	26-Feb-2024	ch3ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-79.8473969124; Eh
	4-Sep-2023	m06hfSP_H1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	6-311+G(D,P) SDD GENECP	-1139.5494907; Eh
	6-Feb-2025	/Ru(tda)_edp2/anchoring/2H_O_neg/CH_pi 2H_O_neg_L1_CH-pi	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-2075.211607; eV
	24-Apr-2020	pristine_BN_tri-sub2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-3722.53450564; eV

Results 29931-29940 of 103542 (Search time: 0.017 seconds).