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Browsing by Author Sole, Albert

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	adduct-1_tba-mediated	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-12188.3522632; Eh
17-Oct-2017	adduct-2_tba-mediated	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-12188.3963789; Eh
17-Oct-2017	adduct-3_tba-mediated	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-12188.3965050; Eh
17-Oct-2017	adduct-4_direct	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-11502.2976137; Eh
17-Oct-2017	adduct-5_direct	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-11502.2896522; Eh
17-Oct-2017	adduct-6_direct	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-11502.2845896; Eh
17-Oct-2017	pom1_1	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.10527399; Eh
17-Oct-2017	pom1_2	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.17149045; Eh
17-Oct-2017	pom1_3	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.19262679; Eh
17-Oct-2017	pom1_4	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14050323; Eh
17-Oct-2017	pom1_5	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.13259707; Eh
17-Oct-2017	pom1_6	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14871761; Eh
17-Oct-2017	pom2_1	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14738637; Eh
17-Oct-2017	pom2_2	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14416347; Eh
17-Oct-2017	pom2_3	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14416347; Eh
17-Oct-2017	pom2_4	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.14558778; Eh
17-Oct-2017	pom2_5	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.15534709; Eh
17-Oct-2017	pom2_6	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-5751.13415150; Eh
17-Oct-2017	tba_1	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-686.025411030; Eh
17-Oct-2017	tba_2	Sole, Albert	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-686.015050513; Eh

Showing results 1 to 20 of 21 next >