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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 H2C2B10I9	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3005.01394684; Eh
	1-Oct-2025	/M062X Q_ST_PRC	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-711.228441787; Eh
	1-Oct-2025	/B3LYP 1_C3H5	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-3692.42341771; Eh
	1-Oct-2025	/M062X 3_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-3703.96260922; Eh
	1-Oct-2025	/M062X HCB11F10_Allyl_iodide_PRC_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-1726.35239567; Eh
	1-Oct-2025	/M062X 4_ST	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3895.78504380; Eh
	1-Oct-2025	/M062X B_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-970.553906289; Eh
	1-Oct-2025	/M062X 3_ST	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3598.73582879; Eh
	1-Oct-2025	/M062X C6H5_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-646.546327432; Eh
	1-Oct-2025	/M062X Q_Allyl_iodide_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-816.554311774; Eh

Results 51-60 of 129 (Search time: 0.002 seconds).