ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
23
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	DMA_C2-C6_33_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.79359988; 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	CH3_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1530.58645412; Eh
	22-Nov-2022	DMA_C2-C6_35_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1758.81468393; Eh
	22-Nov-2022	OCH3_C2-C6_33_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1720.02742720; 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
	22-Nov-2022	phenyl_C4_33_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1721.94800458; Eh
	22-Nov-2022	DMA_C2_35_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1625.10139632; Eh
	22-Nov-2022	OCH3_C4_33_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.68990105; Eh

Results 51-60 of 229 (Search time: 0.001 seconds).