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

Search

previous
1
...
33
34
35
36
37
38
39
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-635.232162501; Eh
	5-Feb-2019	TS-I1-I2-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1065.05063153; Eh
	5-Feb-2019	I7-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD	-170.067594014; Eh
	5-Feb-2019	I5-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-964.574648983; Eh
	5-Feb-2019	I4-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-721.704192298; Eh
	5-Feb-2019	I6-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-395.600109904; Eh
	5-Feb-2019	I3-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-484.916873065; Eh
	5-Feb-2019	I7-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD	-158.820851182; Eh
	5-Feb-2019	I8-Cu-NBO	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-789.324230105; Eh
	5-Feb-2019	TS-I1-I2-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1053.81843075; Eh

Results 351-360 of 12842 (Search time: 0.003 seconds).