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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-May-2026	/1_defect TS8	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3945.98940251; Eh
	12-May-2026	/2_defect TS3	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3352.74632961; Eh
	12-May-2026	/1_defect 9	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3388.49320957; Eh
	12-May-2026	/2_defect 5	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3276.41465465; Eh
	12-May-2026	/2_defect 1	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3082.69450604; Eh
	12-May-2026	/2_defect 6	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3276.35727509; Eh
	12-May-2026	/2_defect 2	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3352.82005506; Eh
	12-May-2026	/2_defect 4	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RM06L	DEF2TZVP DEF2SVP GEN	-3007.45014608; Eh
	12-May-2026	/SN_TS/2-PyOTf Nidppf_SN_2PyOTf_B2_sp	Ronson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, Stephen	Orca; 6.1.0; RELEASE	Single point	DFT	ma-def2-qzvp	-5976.68560860270009; Eh
	12-May-2026	/1_defect TS3	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP DEF2SVP GEN	-3389.63193498; Eh

Results 397021-397030 of 397030 (Search time: 0.268 seconds).