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Browsing by Author Artigas, Albert

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Showing results 283 to 302 of 525 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/OPTFREQ A5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.31768091; Eh
3-Oct-2019	/OPTFREQ A5P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-4655.28601484; Eh
12-Jun-2019	/OPTFREQ A5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.20293504; Eh
12-Jun-2019	/OPTFREQ A5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.20205663; Eh
12-Jun-2019	/OPTFREQ A5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.20816382; Eh
12-Jun-2019	/OPTFREQ A5P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.20483232; Eh
3-Oct-2019	/OPTFREQ A6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.30195826; Eh
3-Oct-2019	/OPTFREQ A7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.29222383; Eh
3-Oct-2019	/OPTFREQ A8	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.32807946; Eh
3-Oct-2019	/OPTFREQ A9	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	-	-3240.58407820; Eh
12-Jun-2019	/OPTFREQ B1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.31541676; Eh
3-Oct-2019	/OPTFREQ B1	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	-	-	-
3-Oct-2019	/OPTFREQ B2	Artigas, Albert	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.26763460; Eh
3-Oct-2019	/OPTFREQ B3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.25587066; Eh
12-Jun-2019	/OPTFREQ C1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.28033868; Eh
3-Oct-2019	/OPTFREQ C1	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-3240.56929301; Eh
3-Oct-2019	/OPTFREQ C1P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	-	-	-3240.51254562; Eh
3-Oct-2019	/OPTFREQ C2	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.51974548; Eh
3-Oct-2019	/OPTFREQ C2P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.51908980; Eh
3-Oct-2019	/OPTFREQ C3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-3240.54336634; Eh

Showing results 283 to 302 of 525 < previous next >