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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_geom5_w3_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-3602.34467895; Eh
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_geom3_w4_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-3678.78722744; Eh
	6-Sep-2024	/M06L/W W05O16-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	19-Mar-2026	/AsMoW As01Mo08W04O40-1H-iso-160767648	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35921639; Eh
	19-Mar-2026	/AsMoW As01Mo05W04O31-0H-iso-163873	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.69871107; Eh
	19-Mar-2026	/AsMoW As02Mo00W05O23-0H-iso-0	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-9.52211486; Eh
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_ethynyl_HLT_b3lyp_6311Gdp_nodisp	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-3773.0864575; Eh
	6-Sep-2024	/B3LYP/PMo P01Mo09O34-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	19-Nov-2024	/Ag/MD/Cs_72_H2O_CO2_1/slow_growth/Cs_move 3	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1369.16444273; eV
	19-Nov-2024	/Ag/MD/Li_72_H2O_SS_IP/slow_growth/Li_move 3	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1376.91872576; eV

Results 77251-77260 of 104126 (Search time: 0.045 seconds).