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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jul-2018	/ExcitedState/1T_State 1T_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-3.84886214; Eh
	2-Aug-2018	MDsnap_trimer2_2340	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.49542719; eV
	2-Aug-2018	MDsnap_trimer2_4740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.06477329; eV
	2-Aug-2018	MDsnap_trimer3_500	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.15992916; eV
	28-Jan-2019	Red_T9	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1939.58571273; Eh
	2-Aug-2018	MDsnap_trimer3_920	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.69452974; eV
	11-Feb-2022	TpBr3Cu_HNSi_s_v2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.80218887; Eh
	4-Jan-2022	/CH2OH_rotation_isomers/opt D_syn_to_Ddoubleprime_syn	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) LANL2DZ GENECP	-3100.21327311; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-422.648516415; Eh
	2-Aug-2018	MDsnap_trimer2_2320	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.44136538; eV

Results 17211-17220 of 104512 (Search time: 0.011 seconds).