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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2024	PtCl2_1S_h-cl-scaffold	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1982.47138064; eV
	28-Aug-2024	SP_tscnattack_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-2378.8341741; Eh
	29-Jul-2024	TSE3b-chair	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.10903538; Eh
	29-Jul-2024	TSE3c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.09817527; Eh
	31-Jul-2023	/M_P_SACs/M_tr_C5P3/Cd_tr_C5P3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-640.51228954; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4X0/Ru_tr_C4X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-638.17118367; eV
	10-Sep-2024	PtCl2_1S_h-cl-metal	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1982.88764760; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P1_C5P2/Ir_sq_C4P1_C5P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.16418284; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P1_C5P2/Rh_sq_C4P1_C5P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-618.58792119; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P1_C5P2/Ag_sq_C4P1_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-611.37217801; eV

Results 431-440 of 100136 (Search time: 0.003 seconds).