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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZ5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.92676627; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZ6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.62556684; eV
	16-Jan-2026	/FG_dataset/group3S/ag/111 ag-4aS6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-203.50220374; eV
	19-Mar-2026	/VMo V01Mo06O22-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.17522449; Eh
	19-Mar-2026	/PW P01W05O19-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.06844239; Eh
	19-Mar-2026	/W W06O22-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.77334841; Eh
	19-Mar-2026	/W W11O40-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.49342009; Eh
	19-Mar-2026	/W W01O04-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.80181827; Eh
	15-Jul-2024	/Single-Point_SI_Additional ²TS_s7	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GENECP	-1674.1171703; Eh
	15-Jul-2024	/Single-Point_SI_Additional ³TS_s4	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GENECP	-1905.8286499; Eh

Results 56151-56160 of 104126 (Search time: 0.034 seconds).