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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_236 disp_236	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61065654; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_023 disp_023	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.59974493; eV
	12-Nov-2024	/Radical-Radical_coupling_ INT_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-673.548777764; Eh
	12-Nov-2024	/Radical-Radical_coupling_ reac_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-766.466823842; Eh
	12-Nov-2024	/Radical-Radical_coupling_ TS_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) GEN	-766.452077722; Eh
	12-Nov-2024	/Radical-Radical_coupling_ CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-92.9315492377; Eh
	6-Sep-2024	/B3LYP/PMo P01Mo09O31-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	19-Nov-2024	/Ag/211/K_3_H2O/slab sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-200.12156341; eV
	19-Nov-2024	/Ag/211/K_3_H2O/slab 4	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.08381659; eV
	19-Nov-2024	/Ag/211/K_3_H2O/slab 1	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.08639694; eV

Results 1371-1380 of 100138 (Search time: 0.004 seconds).