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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Nov-2024	/Ag/cluster_calcs/K_1/5_H2O 5_3600	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.18134112; eV
	19-Nov-2024	/Ag/cluster_calcs/K_1/5_H2O 5_3400	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.02278728; eV
	25-Apr-2024	/Ag/111/Li_3_H2O/slab bader	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-236.06345817; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/3_1/COOH atop	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-120.71221375; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/2_6/slab 4_M	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-95.20266681; eV
	25-Apr-2024	/Ag/100/no_cation/CO sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-199.40742671; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_6100	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.03025203; eV
	25-Apr-2024	/Ag/111/K_3_H2O/i102101 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-258.11505035; eV
	10-Sep-2025	Cl_sub	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-809.822888183; Eh
	10-Sep-2025	GDS05_td	Dias da Silva, Gabriela	Gaussian; 09; EM64L-G09RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1168.4631261; Eh

Results 93621-93630 of 93712 (Search time: 0.053 seconds).