ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Sep-2023	/P_radicals/PPh3/PPh3+Ph-rad_TS PPh3+Ph-rad_TS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-1266.05023127; Eh
	2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_TS_5pos 2iodomxylene+Me_rad_TS_5pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-646.154894134; 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	/P_radicals/dppf/dppf+Ph-rad_TS dppf+Ph-rad_TS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-3487.23384359; 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/dippf/dippf+Ph-rad_TS dippf+Ph-rad_TS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-3035.46445347; 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/dppf/dppf+Me-rad_TS dppf+Me-rad_TS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-3295.83083148; Eh
	2-Sep-2023	/P_radicals/dippf/dippf+Ph-TS-cleavage dippf+Ph-TS-cleavage	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UMN15L	DEF2SVP	-3035.47925043; Eh

Results 11-19 of 19 (Search time: 0.001 seconds).