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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Nov-2021	incommensurate_top_H	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-3041.60173584; eV
	1-Jul-2023	pristine-4xN6-pristine-4xN6-8.61_30	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.66053876; eV
	19-Mar-2026	/PTaW P01Ta03W06O31-3H-iso-25203	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.62822717; Eh
	19-Mar-2026	/PTaW P01Ta01W02O13-3H-iso-4	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.64801692; Eh
	26-Aug-2024	geom20_nox2_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1258.4642426; Eh
	26-Aug-2024	geom39_nox_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1164.2849957; Eh
	25-Jun-2024	/Intermediates/Ag/110 C4H9NO_13	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-267.53209406; eV
	25-Jun-2024	/Intermediates/Au/110 C8H10_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-330.76680842; eV
	25-Jun-2024	/Intermediates/Rh/110 C6H6S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-574.19227190; eV
	25-Jun-2024	/Intermediates/Pt/110 C6H6O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-499.40531938; eV

Results 30091-30100 of 103542 (Search time: 0.018 seconds).