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Showing results 101 to 120 of 4713 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2017	/L-N2H2/STEP_5_TS56 SP_TS56e_H04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 SP_TS56i_H04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 SP_TS56i_H02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56i_H06_S12g	Angelone, Davide	ADF; 2014	Single point TS Quild	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56i_H04_S12g	Angelone, Davide	ADF; 2014	Single point TS Quild	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56i_H02_S12g	Angelone, Davide	ADF; 2014	Single point TS Quild	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 SP_TS56e_H02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56e_H06_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 SP_TS56i_H06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56e_H02_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_5_TS56 Freq_TS56e_H04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 SP_step1_H08_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 SP_step1_H06_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 SP_step1_H04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 Freq_step1_H08_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 Freq_step1_H06_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_1 Freq_step1_H04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_3 SP_step3_H04_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_3 Freq_step3_H06_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2H2/STEP_3 SP_step3_H02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-

Showing results 101 to 120 of 4713 < previous next >