ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

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

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Sep-2023	dsty-aaac	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.781840077; Eh
	8-Sep-2023	dsty-aacb	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.782609258; Eh
	8-Sep-2023	dsty-aaba	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.783197522; Eh
	8-Sep-2023	dsty-aabb	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.784617264; Eh
	8-Sep-2023	dsty-aacc	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.779823352; Eh
	8-Sep-2023	dsty-aaaa	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.783897449; Eh
	8-Sep-2023	dsty-ccca	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.781446240; Eh
	8-Sep-2023	elut2	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-326.573406930; Eh
	8-Sep-2023	dsty-cccc	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.779047633; Eh
	8-Sep-2023	dsty-cccb	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.781989053; Eh

Results 51-60 of 89 (Search time: 0.001 seconds).