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Browsing by Author Laconsay, Croix

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Showing results 41 to 60 of 581 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Oct-2022	18	Laconsay, Croix	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1902.69563064; Eh
7-Dec-2021	18	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
11-Oct-2022	19	Laconsay, Croix	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1902.72859041; Eh
7-Dec-2021	19	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
4-Oct-2021	1a_ACN_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1a_DCM_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1a_gas	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1a_iPrOH_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1b_ACN_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1b_DCM_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1b_gas	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1b_iPrOH_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1c_ACN_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1c_DCM_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1c_gas	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Oct-2021	1c_iPrOH_none	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D)	-
7-Dec-2021	2	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
11-Oct-2022	20	Laconsay, Croix	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-768.018126726; Eh
7-Dec-2021	20	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
7-Dec-2021	21	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-

Showing results 41 to 60 of 581 < previous next >