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Showing results 450 to 469 of 525 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/SPE TS_A4A5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4658307; Eh
12-Jun-2019	/SPE TS_A4A5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4668162; Eh
12-Jun-2019	/SPE TS_A4A5P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4625117; Eh
3-Oct-2019	/SPE TS_A4A5P_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.4993174; Eh
12-Jun-2019	/SPE TS_A4PA5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5072232; Eh
12-Jun-2019	/SPE TS_A4PA5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5094078; Eh
12-Jun-2019	/SPE TS_A4PA5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5206297; Eh
12-Jun-2019	/SPE TS_A4PA5P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5084893; Eh
12-Jun-2019	/SPE TS_A53AA_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1615251; Eh
12-Jun-2019	/SPE TS_A53AA_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1635467; Eh
12-Jun-2019	/SPE TS_A53AA_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1485298; Eh
12-Jun-2019	/SPE TS_A53AA_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1542308; Eh
3-Oct-2019	/SPE TS_A5A6_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5529042; Eh
3-Oct-2019	/SPE TS_A5PA5_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5200817; Eh
3-Oct-2019	/SPE TS_A6A7_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5392538; Eh
3-Oct-2019	/SPE TS_A7A8_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5573024; Eh
3-Oct-2019	/SPE TS_B1B2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.4557948; Eh
3-Oct-2019	/SPE TS_B3A4_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.4897114; Eh
12-Jun-2019	/SPE TS_C1A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5170916; Eh
3-Oct-2019	/SPE TS_C1C2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UM06	-	-3239.1414102; Eh

Showing results 450 to 469 of 525 < previous next >