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Showing results 61 to 80 of 4602 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45e_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45e_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 SP_TS45e_M06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 SP_TS45e_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 SP_TS45e_M04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45i_M06_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45i_M04_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_M04a_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_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 SP_step1_M08_S12g	Angelone, Davide	ADF; 2016	Single point	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 Freq_step1_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 Freq_TS56e_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 SP_TS56i_M06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 Freq_TS56e_M04_S12g	Angelone, Davide	ADF; 2014	Single point TS Quild	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 Freq_TS56i_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 SP_TS56i_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-

Showing results 61 to 80 of 4602 < previous next >