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Browsing by Author Borowski, Tomasz

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Showing results 61 to 80 of 153 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Sep-2021	INT_OOH	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVP	-
30-Oct-2017	M0	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	M0_Orca	Borowski, Tomasz	Orca; 3.0.3; RELEASE	Single point	DFT	SV(P)	-2862.45069923; Eh
30-Oct-2017	M1	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	M1_Orca	Borowski, Tomasz	Orca; 3.0.2; RELEASE	Single point	DFT	SV(P)	-3892.11734351; Eh
30-Oct-2017	M2	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	M2_Orca	Borowski, Tomasz	Orca; 3.0.3; RELEASE	Single point	DFT	SV(P)	-3739.35147842; Eh
30-Oct-2017	M3	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	M3_Orca	Borowski, Tomasz	Orca; 3.0.2; RELEASE	Single point	DFT	SV(P)	-3303.10200513; Eh
30-Oct-2017	M4	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
30-Oct-2017	M4_Orca	Borowski, Tomasz	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	SV(P)	-3474.06592902; Eh
20-Sep-2021	O2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1087.59078926; Eh
12-Dec-2023	P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-368.9709642; Eh
20-Sep-2021	reactant_TS_C2PW	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1163.90326700; Eh
20-Sep-2021	reactant_TS_C2PWB	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.89927879; Eh
20-Sep-2021	reactant_TS_C4PW	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.89874663; Eh
20-Sep-2021	reactant_TS_C4PWB	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.91028275; Eh
12-Dec-2023	S	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-427.8132754; Eh
20-Sep-2021	S0_5	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-937.113136741; Eh

Showing results 61 to 80 of 153 < previous next >