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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Sep-2023	/Me_radical_addn/mXylene+Me-rad_product_5pos mXylene+Me-rad_product_5pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-350.078478673; Eh
	2-Sep-2023	/Me_radical_addn/2iodomxylene 2iodomxylene	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-606.421907294; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3_TS_cleavage PhPCy3_TS_cleavage_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-1277.7532333; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-rad PhPCy3-rad_tzvp-as-cation	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-1277.6698114; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-cat PhPCy3-cat_tzvp-as-radical	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-1277.7648667; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3_TS_cleavage PhPCy3_TS_cleavage	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-1276.80372660; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-cat PhPCy3-cat_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-1277.6854366; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-cat PhPCy3-cat	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-1276.69750846; Eh
	2-Sep-2023	/P_radicals/dippf/dippf dippf_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-2805.6430488; Eh
	2-Sep-2023	/P_radicals/dippf/dippf dippf	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-2804.31692940; Eh

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