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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 B_Allyl_iodide_PRC_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-970.559768186; Eh
	1-Oct-2025	/M062X Q_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-816.600495308; Eh
	1-Oct-2025	/M062X HCB11F10	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-1311.41803042; Eh
	1-Oct-2025	/M062X C6H5	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-231.540989566; Eh
	1-Oct-2025	/M062X 4_MA_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-3892.56918639; Eh
	1-Oct-2025	/M062X 3_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3704.04625555; Eh
	1-Oct-2025	/B3LYP 2_C3H5	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-1438.13779031; Eh
	1-Oct-2025	/B3LYP Q_C3H5	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-519.267342156; Eh
	1-Oct-2025	/B3LYP B_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-853.757852411; Eh
	1-Oct-2025	/B3LYP 3_MA	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3597.59328817; Eh

Results 61-70 of 129 (Search time: 0.001 seconds).