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Browsing by Author Borowski, Tomasz

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Showing results 41 to 60 of 153 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Sep-2021	6	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	DEF2TZVP	-935.855917266; Eh
6-Nov-2017	6_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	6_Ni	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
20-Sep-2021	6a	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.44020178; Eh
6-Nov-2017	7_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	7_Ni	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	8_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	8_Ni	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	9_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	9_Ni	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
20-Sep-2021	CO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	DEF2TZVP	-113.322335097; Eh
20-Sep-2021	H2O2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-151.574618887; Eh
12-Dec-2023	I1	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-413.0857213; Eh
12-Dec-2023	I2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-413.7969029; Eh
20-Sep-2021	INT_C2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	UwB97XD	DEF2TZVP	-1087.41296946; Eh
20-Sep-2021	INT_C2P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.45293884; Eh
20-Sep-2021	INT_C4	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-1087.41615259; Eh
20-Sep-2021	INT_C4P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1087.44313805; Eh
20-Sep-2021	INT_HOO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	INT_OO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.44742393; Eh

Showing results 41 to 60 of 153 < previous next >