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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Sep-2023	/common/iodobenzene iodobenzene	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-527.938541240; Eh
2-Sep-2023	/common/iodobenzene iodobenzene_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-528.4234603; Eh
2-Sep-2023	/common/iodobenzene iodobenzene_tzvp-as-radanion	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-528.4348363; Eh
2-Sep-2023	/common/iodobenzene_radical_anion iodobenzene_radical_anion	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-527.944826608; Eh
2-Sep-2023	/common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-528.4785337; Eh
2-Sep-2023	/common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvp-as-singlet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-528.3436564; Eh
2-Sep-2023	/common/phenyl_radical phenyl_radical	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-231.147647037; Eh
2-Sep-2023	/common/phenyl_radical phenyl_radical_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-231.3478792; 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	/Me_radical_addn/2iodomxylene 2iodomxylene_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-606.9811594; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-646.247742368; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2pos_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-646.844466; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_4pos 2iodomxylene+Me_rad_prod_4pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-646.194303980; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_4pos 2iodomxylene+Me_rad_prod_4pos_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-646.7973866; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-646.193240369; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5pos_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-646.7976639; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_TS_2pos 2iodomxylene+Me_rad_TS_2pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-646.157062910; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_TS_2pos 2iodomxylene+Me_rad_TS_2pos_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-646.7563625; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-646.156108412; Eh
2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4pos_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-646.7569531; Eh

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