ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
40
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	NH2_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1546.62955837; Eh
	22-Nov-2022	DMA_C2_33_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.09283294; Eh
	22-Nov-2022	SCH3_C2_35_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1928.52686940; Eh
	22-Nov-2022	OCH3_C2-C6_35_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1720.03453657; Eh
	22-Nov-2022	Parent_33_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.40281362; Eh
	22-Nov-2022	Parent_Pd_coordination_coord_to_diene_1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.41256783; Eh
	22-Nov-2022	OH_C4_35_INT_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1566.47173829; Eh
	22-Nov-2022	DMA_C7_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.04121440; Eh
	22-Nov-2022	DMA_C2-C6_Pd_coordination_coord_to_C4_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.76778397; Eh
	22-Nov-2022	phenyl_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1721.93196882; Eh

Results 1-10 of 399 (Search time: 0.001 seconds).