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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Jan-2020	Int5a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.34591021; Eh
8-Jan-2020	Int7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.38633291; Eh
8-Jan-2020	Int6a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.34675345; Eh
8-Jan-2020	Int4a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1754.55848972; Eh
8-Jan-2020	1a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G GEN*	-540.276142487; Eh
10-Jan-2020	propylene_carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-381.698674101; Eh
29-Oct-2019	a_alkoxide	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G(D,P)	-3037.88878912; Eh
10-Jan-2020	hemicarbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-2956.02339262; Eh
10-Jan-2020	co2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-188.576513366; Eh
10-Jan-2020	br_anion	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RM062X	6-311+G(D,P)	-2574.34314498; Eh

Results 34741-34750 of 103542 (Search time: 0.021 seconds).