ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
15
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Nov-2022	OCH3_C4_3_3_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1605.71857374; Eh
	21-Nov-2022	NH2_C2-C5_3_5_product_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1601.91788159; Eh
	21-Nov-2022	Parent_3_5_reactant_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.41337613; Eh
	21-Nov-2022	OCH3_C2-C5_3_3_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1719.96222394; Eh
	21-Nov-2022	NH2_C2-C5_3_5_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1601.87029139; Eh
	21-Nov-2022	OCH3_C2_3_3_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.67168316; Eh
	21-Nov-2022	NH2_C2-C5_3_5_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1601.87208627; Eh
	21-Nov-2022	DMA_C3_3_3_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.03906837; Eh
	21-Nov-2022	OH_C4_3_5_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1566.46486117; Eh
	21-Nov-2022	Parent_3_5_product_MN15_def2-SVP_SMD	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1491.43614929; Eh

Results 1-10 of 142 (Search time: 0.001 seconds).