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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 3_Allyl_iodide_PRC_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3703.98268067; Eh
	1-Oct-2025	/B3LYP B	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-555.860230499; Eh
	1-Oct-2025	/B3LYP Allyl_iodide	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-415.172726610; Eh
	1-Oct-2025	/B3LYP Q_H	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-402.495489607; Eh
	1-Oct-2025	/B3LYP 4	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3588.13194963; Eh
	1-Oct-2025	/B3LYP 2_H	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-1321.35802218; Eh
	1-Oct-2025	/M062X 4_Allyl_iodide_PRC_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-4001.03190310; Eh
	1-Oct-2025	/M062X 1_Allyl_iodide_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3987.92255871; Eh
	1-Oct-2025	/M062X Q_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-816.510953057; Eh
	1-Oct-2025	/M062X 4_MA	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3892.62334203; Eh

Results 91-100 of 129 (Search time: 0.001 seconds).