ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/geo_opt 3i_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1875.60924117; Eh
	2-Oct-2023	/geo_opt 3b_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1269.52351417; Eh
	2-Oct-2023	/geo_opt 3j_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1462.17367844; Eh
	2-Oct-2023	/geo_opt 3a_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1155.01200112; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1269.52351417; Eh
	2-Oct-2023	/geo_opt 3l_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1666.66370097; Eh
	2-Oct-2023	/geo_opt 3f_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1359.50394928; Eh
	2-Oct-2023	/geo_opt 3g_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1476.27903273; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1588.53059076; Eh
	2-Oct-2023	/geo_opt 3d_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-799.004622652; Eh

Results 1-10 of 24 (Search time: 0.001 seconds).