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Showing results 45 to 64 of 205 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/ACET/SPE ACETYLENE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-77.3433483; Eh
3-Oct-2019	/ACET/SPE B3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1761.7575387; Eh
3-Oct-2019	/ACET/SPE B3B4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1761.7336445; Eh
3-Oct-2019	/ACET/SPE B4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1761.7719326; Eh
3-Oct-2019	/ACET/SPE B5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.1857393; Eh
3-Oct-2019	/ACET/SPE B5B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.1736592; Eh
3-Oct-2019	/ACET/SPE B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.2051095; Eh
3-Oct-2019	/ACET/SPE B6B7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.20243; Eh
3-Oct-2019	/ACET/SPE B7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.2148759; Eh
3-Oct-2019	/ACET/SPE B8	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-2875.6768174; Eh
3-Oct-2019	/ACET/SPE B8A7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-2875.6724859; Eh
3-Oct-2019	/ACET/SPE BENZENE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-232.2844464; Eh
3-Oct-2019	/ACET/SPE C3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-725.2778702; Eh
3-Oct-2019	/ACET/SPE C3C4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-725.2674415; Eh
3-Oct-2019	/ACET/SPE C5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-802.7026143; Eh
3-Oct-2019	/ACET/SPE C5C6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-802.700525; Eh
3-Oct-2019	/ACET/SPE C6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-802.7448697; Eh
3-Oct-2019	/ACET/SPE C6C7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-802.7315777; Eh
3-Oct-2019	/ACET/SPE C7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-802.7570172; Eh
3-Oct-2019	/ACET/SPE C9	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-725.3037516; Eh

Showing results 45 to 64 of 205 < previous next >