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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2025	/M062X 4_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-4001.03067523; Eh
	1-Oct-2025	/M062X 4_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-4001.09333915; Eh
	1-Oct-2025	/M062X B_Allyl_iodide_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-970.600163195; Eh
	1-Oct-2025	/B3LYP 4_C3H5	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3705.58293985; Eh
	1-Oct-2025	/B3LYP 1_MA	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3881.66048473; Eh
	1-Oct-2025	/B3LYP 3_H	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3291.57969643; Eh
	1-Oct-2025	/B3LYP ST	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-309.796775386; Eh
	1-Oct-2025	/M062X 3_Allyl_iodide_PRC_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3704.02229468; Eh
	1-Oct-2025	/M062X MA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	DEF2TZVPP	-306.462623204; Eh
	1-Oct-2025	/M062X C6H5_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-646.462657972; Eh

Results 11-20 of 129 (Search time: 0.002 seconds).