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

Search

previous
1
...
428
429
430
431
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Mar-2021	DCM_metallocarbene6_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-2197.37477054; Eh
	11-Mar-2021	DCM_TSN2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2421.79589091; Eh
	11-Mar-2021	TOL_INTDCO1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27217133; Eh
	11-Mar-2021	TOL_INTDiazo	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2421.81281832; Eh
	11-Mar-2021	TOL_INTDCO2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.29071653; Eh
	11-Mar-2021	TOL_TSDCO3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27109816; Eh
	11-Mar-2021	TOL_TSN2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2421.78496239; Eh
	11-Mar-2021	TOL_CU	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-1947.02306159; Eh
	11-Mar-2021	TOL_Diazo	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) GEN	-474.745299153; Eh
	11-Mar-2021	TOL_N2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) GEN	-109.521440025; Eh

Results 4301-4310 of 4310 (Search time: 0.004 seconds).