ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
7
8
9
10
11
12
13
...
14
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/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
	28-Feb-2024	TS3	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1200.39889345; Eh
	28-Feb-2024	TS7	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1525.65211560; Eh
	28-Feb-2024	TS6	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1525.64903168; Eh
	28-Feb-2024	TS5	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1296.69857219; Eh
	7-Apr-2024	TS5_6-members	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1101.50446323; Eh

Results 91-100 of 133 (Search time: 0.002 seconds).