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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom3_w3_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3602.3705269; Eh
	9-Nov-2018	/vacuum/complexes nme3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1864.69487141; Eh
	2-Aug-2018	MDsnap_trimer1_1560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.57561351; eV
	13-Jul-2018	/M06_calculations bh_TS_c4_OAc_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1699.53255880; Eh
	13-Jul-2018	/M06_calculations bh_TS_c6_c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.52138393; Eh
	13-Jul-2018	/M06_calculations bh_TS_c7_c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.52685067; Eh
	13-Jul-2018	/M06_calculations bh_TS_c3_c4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.63902692; Eh
	13-Jul-2018	/M06_calculations bh_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.49672779; Eh
	13-Jul-2018	/M06_calculations bh_int2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-615.295723485; Eh
	2-Aug-2018	MDsnap_trimer1_1500	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.10723448; eV

Results 12241-12250 of 104079 (Search time: 0.009 seconds).