ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
16-Apr-2026	105G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-3150.03191666; Eh
16-Apr-2026	2A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2215.52944526; Eh
16-Apr-2026	521U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2390.83739290; Eh
16-Apr-2026	10G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2674.96207017; Eh
16-Apr-2026	None3	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2257.63506495; Eh
16-Apr-2026	50C	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2179.06341621; Eh
16-Apr-2026	54U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2920.70728022; Eh
16-Apr-2026	102G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2750.15271743; Eh
16-Apr-2026	503U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2466.01326172; Eh
16-Apr-2026	53U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2331.70138225; Eh

Results 395321-395330 of 397032 (Search time: 0.224 seconds).