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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 1_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3987.94847468; Eh
	1-Oct-2025	/M062X B_ST	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-865.323868343; Eh
	1-Oct-2025	/M062X H2C2B10I9_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3420.01429218; Eh
	1-Oct-2025	/M062X HCB11F10_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-1726.33330242; Eh
	1-Oct-2025	/M062X C6H5_Allyl_iodide_PRC_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-646.466719907; Eh
	1-Oct-2025	/M062X 3_Allyl_iodide_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3703.97962126; Eh
	1-Oct-2025	/M062X 4_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-4001.02368052; Eh
	1-Oct-2025	/M062X B_MA_PRC	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-862.107204711; Eh
	1-Oct-2025	/M062X 4	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3586.09368448; Eh
	1-Oct-2025	/B3LYP B_H	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-556.546102783; Eh

Results 101-110 of 129 (Search time: 0.001 seconds).