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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2021	imnme2nme2-zrcl5	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-2921.32020953; Eh
	11-Mar-2021	DCM_TSHOMO	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2787.05254444; Eh
	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_INTDCO2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.29968795; Eh
	11-Mar-2021	DCM_TSDCO3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27972372; Eh
	11-Mar-2021	DCM_CO_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G GEN*	-113.310181110; Eh
	11-Mar-2021	TOL_metallocarbene7_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+G 6-31G LANL2DZ GEN*	-2196.31894013; Eh
	11-Mar-2021	TOL_INTCC1_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.06938374; Eh
	11-Mar-2021	TOL_INTCC3_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.12963890; Eh
	11-Mar-2021	TOL_INTCC2_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.07893487; Eh

Results 10261-10270 of 12842 (Search time: 0.009 seconds).