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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	tsA4b-E	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1670.84053774; Eh
	27-Jun-2023	tsZ-A2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1670.83372220; Eh
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Rh_sq_C4P2_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.46013443; eV
	11-Feb-2019	suzuki_dimer_a	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1986.72043957; eV
	11-Feb-2019	dimer_subsurface	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1912.42816088; eV
	11-Feb-2019	hyd_dimer_7	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2000.91559058; eV
	11-Feb-2019	hyd_dimer_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2000.71500133; eV
	11-Feb-2019	hyd_dimer_1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1918.37631416; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Os_sq_C4P2_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-618.24695793; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Ni_sq_C4P2_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.75500004; eV

Results 1561-1570 of 104079 (Search time: 0.004 seconds).