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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/VW V01W03O13-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.62992974; Eh
	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_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_exo_transS	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.60992830; Eh
	23-Mar-2018	2_6-diisopropylphenylthioether_S2_NH3_TS_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3131.62136134; 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
	23-Mar-2018	L8b_S2_NH3_TS_exo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01254552; Eh
	23-Mar-2018	L8b_S2_NH3_TS_endo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.00943820; Eh
	23-Mar-2018	L8b_S2_NH3_TS_exo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01826186; Eh

Results 13951-13960 of 103542 (Search time: 0.011 seconds).