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Collection hits:

Collection Name
GDS05
test

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	GDS05_freq	Dias da Silva, Gabriela	Gaussian; 09; EM64L-G09RevC.01	Single point Structure	RB3LYP	GEN	-
	10-Sep-2025	GDS05	Dias da Silva, Gabriela	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization Minimum	RB3LYP	GEN	-
	10-Sep-2025	GDS05_zindo	Dias da Silva, Gabriela	Gaussian; 09; EM64L-G09RevC.01	Single point Structure	-	-	-
	19-Nov-2024	/Ag/MD/Li_72_H2O_CO2/sg/Li_move 0	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1379.28919205; eV
	1-May-2024	/Ag/111/N_CH3_4_H2O_3/NEB/H2O_e_H freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-323.04876504; eV
	25-Apr-2024	/Ag/100/K_3_H2O/NEB/CO2+H2O_e_COOH TS	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-253.17081811; eV
	25-Apr-2024	/Ag/111/K_3_H2O/NEB/H2O_e_H sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-234.17552646; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_9500	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.04040371; eV

Results 93631-93640 of 93712 (Search time: 0.054 seconds).