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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2018	1_3TSD	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	lanl2dz; 6-31+g(d)	-1161.75415665; Eh
	8-May-2018	1_D	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	lanl2dz; 6-31+g(d)	-1161.75195677; Eh
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-58.65085421; eV
	8-Nov-2018	/water/complexes aq-xeyh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-435.7593212; Eh
	28-Jan-2019	Red_H12C12O2Si	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-904.556883341; Eh
	2-Aug-2018	MDsnap_trimer3_740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.59013762; eV
	28-Jan-2019	Red_T6	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1864.28402882; Eh
	8-Nov-2018	/water/complexes aq-xek_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-43.7977133; Eh
	6-May-2019	CP-2Pd-i26	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1129.98905809; eV
	30-May-2023	int1b	Martí Zaragoza, Àlex	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-7549.58315228; Eh

Results 17171-17180 of 104512 (Search time: 0.012 seconds).