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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Dec-2023	/SinglePoint TS1d_Iso	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5006829; Eh
	6-Dec-2023	/SinglePoint Isomer_VII	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5624279; Eh
	6-Dec-2023	/SinglePoint TS1_Iso	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5012525; Eh
	6-Dec-2023	/SinglePoint Int1	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5488136; Eh
	17-Feb-2023	/M_P_din4_x2_c5_b_v2/Zn_P_din4_x2_c5_b_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.03814598; eV
	17-Feb-2023	/M_P_din4_x2_c5_b_v2/Cu_P_din4_x2_c5_b_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.69119725; eV
	17-Feb-2023	/M_P_din4_x2_c5_b_v2/Pd_P_din4_x2_c5_b_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.45874682; eV
	17-Feb-2023	/M_P_din6_as_c1_1/Ir_P_din6_as_c1_1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.75907544; eV
	17-Feb-2023	/M_P_din6_as_c0/Pt_P_din6_as_c0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-604.41933371; eV
	6-Dec-2023	/SinglePoint TS4d_Iso	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5216889; Eh

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