ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
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.
	5-Oct-2022	/template-1/ts3-a ts3a_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3126.54095681; Eh
	5-Oct-2022	/template-1/ts2 ts2_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3126.53050049; Eh
	5-Oct-2022	/template-1/ts3 ts3_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3126.54324668; Eh
	5-Oct-2022	/template-1/ts3 ts3_FBIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3126.54222318; Eh
	5-Oct-2022	/template-1/ts4 ts4_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3126.52358421; Eh
	22-Aug-2022	/COOEt/singlet TS5_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13735151; Eh
	22-Aug-2022	/COOEt/singlet TS6_COOEt_singlet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.18643322; Eh
	22-Aug-2022	/COOEt/triplet TS7_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13547367; Eh
	22-Aug-2022	/COOEt/triplet TS6_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.18176139; Eh
	22-Aug-2022	/COOEt/triplet TS5_COOEt_triplet	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2989.13915542; Eh

Results 111-120 of 133 (Search time: 0.002 seconds).