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Browsing by Author Angelone, Davide

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Showing results 80 to 99 of 171 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2017	/L-N2H2/STEP_6 Freq_step6_H06_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_6 SP_step6_H02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_6 SP_step6_H04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_6 SP_step6_H06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 Freq_step0_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 Freq_step0_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 Freq_step0_M06_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 SP_step0_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 SP_step0_M04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_0 SP_step0_M06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 Freq_step1_M04-anti_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 Freq_step1_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 Freq_step1_M06_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 SP_step1_M02a_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 SP_step1_M04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 SP_step1_M04a_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 SP_step1_M06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_1 SP_step1_M08_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_2 Freq_step2_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_2 Freq_step2_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-

Showing results 80 to 99 of 171 < previous next >