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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2025	/bases/aug_cc_pvtz/OH_SH opt_se-met_OH-SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-2956.14359064; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/HCl opt_HCl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	aug-cc-pvtz	-460.77526904; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/Cl opt_Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	aug-cc-pVTZ	-460.31048841; Eh
	4-Sep-2024	/0L I8_0L	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	SDD DEF2TZVP GEN	-644.398488727; Eh
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/6_H2O 6_8600	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.56137184; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/6_H2O 6_8500	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.58750855; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/6_H2O 6_8200	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.83279919; eV
	19-Nov-2024	/Ag/cluster_calcs/Ba/5_H2O/5_5200 sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-73.88242802; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/6_H2O 6_9800	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.64968432; eV
	19-Nov-2024	/Ag/cluster_calcs/Ba/5_H2O/5_5000 sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-73.83078316; eV

Results 4211-4220 of 101953 (Search time: 0.006 seconds).