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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Sep-2024	/B3LYP/Mo H2O	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo H3O	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo H4O2	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo H5O2	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O04-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O04-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O04-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O06-6H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O06-7H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo01O06-8H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O07-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O07-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O07-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O10-6H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O10-7H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo02O10-8H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo03O10-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo03O10-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo03O10-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
6-Sep-2024	/B3LYP/Mo Mo03O14-6H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-

Showing results 1 to 20 of 1332 next >