ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
36
37
38
39
40
41
42
...
54
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Nov-2022	SCH3_C2-C6_3_3_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-2365.72122634; Eh
	21-Nov-2022	DMA_C2_3_5_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.07456316; Eh
	21-Nov-2022	DMA_C3_3_5_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.10686344; Eh
	21-Nov-2022	CH3_C4_3_3_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1530.59971899; Eh
	21-Nov-2022	DMA_C1_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.07532577; Eh
	21-Nov-2022	DMA_C4_3_3_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.08457754; Eh
	21-Nov-2022	DMA_C6_3_5_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.08951023; Eh
	21-Nov-2022	DMA_C2-C5_3_5_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.78021022; Eh
	21-Nov-2022	NH2_C4_3_5_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1546.62955837; Eh
	21-Nov-2022	Parent_3_3_TS_MN15_def2-SVP_SMD	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1491.39353188; Eh

Results 381-390 of 531 (Search time: 0.001 seconds).