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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Feb-2025	/Ru(tda)_edp2/anchoring/4H_O_Ru/pi_pi 4H_O-Ru_L1_pi-pi	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-2076.418861; eV
	30-Jun-2023	/Li2O/211/adatom/NEB NEB	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-589.49325884; eV
	30-Jun-2023	/Li2O/111/vacancy/Li Li	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-309.75459143; eV
	19-Mar-2026	/W W07O24-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.53157959; Eh
	19-Mar-2026	/W W07O24-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.54030015; Eh
	25-Jun-2024	/Intermediates/Pt/110 C9H8_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-527.24494913; eV
	25-Jun-2024	/Intermediates/Ni/110 C4H10S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-448.48754631; eV
	25-Jun-2024	/Intermediates/Au/110 C4H9N_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_s1/Ni_sq_C5S2_s1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.36040130; eV
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_s1/Ir_sq_C5S2_s1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-639.70728044; eV

Results 31261-31270 of 104079 (Search time: 0.021 seconds).