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

Search

previous
1
2
3
4
...
158
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2017	/M06-2X Int1_1mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-961.830064350; Eh
	18-Apr-2017	/M06-2X NaOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-469.140307082; Eh
	18-Apr-2017	/B3LYP-D3 2Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1616.85130599; Eh
	18-Apr-2017	/M06-2X adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1055.76477778; Eh
	18-Apr-2017	/wB97xD Int2_1mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1155.31795408; Eh
	18-Apr-2017	/B3LYP adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1056.14943309; Eh
	18-Apr-2017	/wB97xD 1Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1423.06036328; Eh
	18-Apr-2017	/wB97xD Int1_2_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-961.917007379; Eh
	18-Apr-2017	/B3LYP phosphine	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-461.167090441; Eh
	18-Apr-2017	/wB97xD BnepF	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-393.222873443; Eh

Results 1-10 of 1575 (Search time: 0.001 seconds).