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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/PMo P01Mo09O31-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo09O34-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/W W02O07-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/W H3O	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_7600	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.19106855; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_7000	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.17396404; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_7700	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.03068909; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_7100	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.08686388; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_7500	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.13567973; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_8000	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-72.86767048; eV

Results 4951-4960 of 101953 (Search time: 0.007 seconds).