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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	/B3LYP 5_MA	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-28997.1488701; Eh
	1-Oct-2025	/M062X Q_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-816.516735245; Eh
	1-Oct-2025	/M062X 4_ST_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-3895.73043788; Eh
	1-Oct-2025	/M062X H2C2B10I9_Allyl_iodide_TS_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-3419.93224387; Eh
	1-Oct-2025	/M062X B_ST_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-865.253775226; Eh
	1-Oct-2025	/M062X Q_ST	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-711.295946601; Eh
	1-Oct-2025	/M062X B_Allyl_iodide_PRC_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-970.555451365; Eh
	1-Oct-2025	/M062X 1_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-3987.88212409; Eh
	1-Oct-2025	/M062X 1	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3572.94081604; Eh
	1-Oct-2025	/M062X B	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-555.629537662; Eh

Results 111-120 of 129 (Search time: 0.001 seconds).