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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Nov-2022	/U2@C60/U2@C60_O1/U2@C60-5quintuplet U2@C60-5quintuplet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-24.63293598; Eh
	18-Nov-2022	/U2@C60/U2@C60_O1/U2@C60-7septuplet U2@C60-7septuplet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-24.60213312; Eh
	18-Nov-2022	/U2@C60/U2@C60_O2/U2@C60-7septuplet U2@C60-7septuplet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-24.61340057; Eh
	18-Nov-2022	/U2@C60/U2@C60_O2/U2@C60-5quintuplet U2@C60-5quintuplet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-24.62464839; Eh
	18-Nov-2022	/U2@C80/U2@C80_O2/U2@C80-1singlet U2@C80-1singlet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-32.73312153; Eh
	18-Nov-2022	/U2@C80/U2@C80_O1/U2@C80-BS U2@C80-BS	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-32.72142953; Eh
	18-Nov-2022	/U2@C46(103) U2@C46(103)	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE	TZP	-15.36882621; Eh
	18-Nov-2022	/U2@C44(75) U2@C44(75)	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE	TZP	-14.70420212; Eh
	18-Nov-2022	/U2@48(196) U2@48(196)	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE	TZP	-16.01552011; Eh
	14-Oct-2021	/STEP-A/MeOH B2neop2	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-743.714845263; Eh

Results 961-970 of 2579 (Search time: 0.0 seconds).