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Item hits:

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_TS2pos mXylene+Me-rad_TS2pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-350.044607696; Eh
	2-Sep-2023	/Me_radical_addn/mXylene mXylene_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-310.588054; Eh
	2-Sep-2023	/P_radicals/dppf/dppf+Me-cat dppf+Me-cat_tzvp-as-radical	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-3297.5306672; Eh
	2-Sep-2023	/P_radicals/PCy3/PCy3+Ph-rad_TS PCy3+Ph-rad_TS_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-1277.7470684; Eh
	2-Sep-2023	/P_radicals/dppf/dppf+Me-cat dppf+Me-cat_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-3297.44889; Eh
	2-Sep-2023	/P_radicals/PCy3/PCy3+Ph-rad_TS PCy3+Ph-rad_TS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-1276.79542441; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-rad PhPCy3-rad_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-1277.7729491; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-rad PhPCy3-rad	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-1276.81260375; Eh
	2-Sep-2023	/P_radicals/PCy3/PCy3 PCy3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-1045.64786904; Eh
	2-Sep-2023	/P_radicals/PCy3/PCy3 PCy3_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-1046.402084; Eh

Results 1271-1280 of 1523 (Search time: 0.002 seconds).