ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
22
23
24
25
26
27
28
...
48
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2019	TS-I8-I7-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-789.394624662; Eh
	5-Feb-2019	I1-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-822.226609320; Eh
	5-Feb-2019	I5-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-975.785250438; Eh
	5-Feb-2019	I2-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-1065.07870124; Eh
	5-Feb-2019	I4-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-732.934204157; Eh
	5-Feb-2019	I6-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-406.853467655; Eh
	5-Feb-2019	I3-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-496.146618338; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-345.362117462; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-559.031851955; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-213.658816439; Eh

Results 241-250 of 471 (Search time: 0.001 seconds).