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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 Q_ST_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-711.220947921; Eh
	1-Oct-2025	/M062X B_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-970.554766820; Eh
	1-Oct-2025	/M062X 1_ST_PRC	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3882.57744185; Eh
	1-Oct-2025	/M062X 3	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3289.04501794; Eh
	1-Oct-2025	/M062X Q	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-401.588702047; Eh
	1-Oct-2025	/M062X 4_Allyl_iodide_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UM062X	DEF2TZVPP	-4001.04223358; Eh
	1-Oct-2025	/M062X H2C2B10I9_Allyl_iodide_PRC_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3419.94837224; Eh
	1-Oct-2025	/M062X Q_MA_PRC	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-708.065436430; Eh
	1-Oct-2025	/M062X HCB11F10_Allyl_iodide_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-1726.41489725; Eh
	1-Oct-2025	/M062X 1_MA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3879.47543172; Eh

Results 81-90 of 129 (Search time: 0.001 seconds).