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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom138_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6410142; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_endo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.62015342; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_endo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.60614250; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_endo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.62211282; Eh
	23-Mar-2018	2,6-diisopropylphenylthioether_S2_NH3_TS_endo	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.60902533; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.61202681; Eh
	2-Aug-2018	MDsnap_dimer2_600	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.68286204; eV
	2-Aug-2018	MDsnap_trimer3_3440	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.26429817; eV
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_exo_S_transS	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.61990793; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_exo_transS	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.60992830; Eh

Results 12021-12030 of 104589 (Search time: 0.009 seconds).