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	20.511U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-4582.36171933; Eh
16-Apr-2026	None1	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-3246.37202918; Eh
16-Apr-2026	066A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2294.06714379; Eh
16-Apr-2026	511U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2258.11625815; Eh
16-Apr-2026	0A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2215.50150362; Eh
16-Apr-2026	3480G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2882.89644311; Eh
16-Apr-2026	27G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2330.47698643; Eh
16-Apr-2026	510U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2218.83220744; Eh
16-Apr-2026	19U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2163.03283083; Eh
16-Apr-2026	9U	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-2123.74472814; Eh

Results 395271-395280 of 397030 (Search time: 0.222 seconds).