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Showing results 430 to 449 of 525 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/SPE PRODUCT_4A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1185.3120056; Eh
3-Oct-2019	/SPE PRODUCT_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	-	-3240.9053708; Eh
12-Jun-2019	/SPE TS_A1A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5202321; Eh
3-Oct-2019	/SPE TS_A1A2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-2368.2129758; Eh
12-Jun-2019	/SPE TS_A2A3	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5741056; Eh
12-Jun-2019	/SPE TS_A2A3PP_ENDO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4249345; Eh
12-Jun-2019	/SPE TS_A2A3PP_EXO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4255626; Eh
12-Jun-2019	/SPE TS_A3A4	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5687007; Eh
3-Oct-2019	/SPE TS_A3A4_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5203002; Eh
12-Jun-2019	/SPE TS_A3A4P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4337095; Eh
12-Jun-2019	/SPE TS_A3A4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4322716; Eh
12-Jun-2019	/SPE TS_A3A4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4308984; Eh
12-Jun-2019	/SPE TS_A3A4P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4296763; Eh
12-Jun-2019	/SPE TS_A3PB1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5590763; Eh
12-Jun-2019	/SPE TS_A3PPA4P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5092524; Eh
12-Jun-2019	/SPE TS_A3PPA4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5075446; Eh
12-Jun-2019	/SPE TS_A3PPA4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5277898; Eh
12-Jun-2019	/SPE TS_A3PPA4P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.513286; Eh
3-Oct-2019	/SPE TS_A4A5_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5298911; Eh
12-Jun-2019	/SPE TS_A4A5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4647725; Eh

Showing results 430 to 449 of 525 < previous next >