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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Sep-2024	/M06L/Nb H5O2	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
9-May-2024	/Pd/BS2/NHC A3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-1149.0665874; Eh
9-May-2024	/Pd/BS2/NHC A1	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-3238.8994813; Eh
9-May-2024	/Pd/BS2/NHC A2	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-3238.9405428; Eh
9-May-2024	/Pd/BS2/PMe3 OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-3395.1338225; Eh
9-May-2024	/Pd/BS2/NHC RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-896.4117982; Eh
9-May-2024	/Pd/BS2/NHC A0	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-737.9381374; Eh
9-May-2024	/Pd/BS2/PMe3 A4	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-1052.6669222; Eh
18-Jun-2024	/Transition_states/Cd/0001 1111-1101+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
26-Aug-2024	geom25_LLT_nox2_w5	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1029.146256; Eh

Results 74451-74460 of 104126 (Search time: 0.046 seconds).