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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/metal-SDC-interface/CoNi-Ce₃SmO₇ CoNi-Ce₃SmO₇-conf-CoNi	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/CoNi-Ce₃SmO₇ CoNi-Ce₃SmO₇-conf6d	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/CoNi-Ce₃SmO₇ CoNi-Ce₃SmO₇-conf6c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf1b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf1a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf1c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	28-Aug-2024	SP_c120cn_2c_ksalt_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-5264.6706998; Eh
	28-Aug-2024	pbe1pbeSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	6-311+G(D,P)	-4568.406553; Eh
	28-Aug-2024	pbe1pbeSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	6-311+G(D,P)	-2284.1864127; Eh
	28-Aug-2024	nadmf	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-410.781557757; Eh

Results 79451-79460 of 104126 (Search time: 0.055 seconds).