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Showing results 281419 to 281438 of 297975 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Jun-2022	R	Laconsay, Croix	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	-	DEF2SVP	-1176.06345630; Eh
22-Oct-2020	R-1-prime-serine	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1595.09346800; Eh
28-Apr-2023	R-Int-II_6	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-2631.71536663; Eh
28-Apr-2023	R-Int-III_21	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-2631.71355332; Eh
28-Apr-2023	R-Int-IV_2	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-2631.73486419; Eh
28-Apr-2023	R-Product_g_(5ca)	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-1174.66934015; Eh
28-Apr-2023	R-TS-I_24	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69661814; Eh
28-Apr-2023	R-TS-II_60	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.70740996; Eh
28-Apr-2023	R-TS-III_56	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69433446; Eh
9-Jan-2021	R1	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	R1-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	R1-gas	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	R10	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	R11	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	R2	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
10-Nov-2022	R2-PdL2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2097.30432253; Eh
10-Nov-2022	R2c-PdL2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4657.32413951; Eh
10-Nov-2022	R3	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-2803.07874718; Eh
10-Nov-2022	R3-PdL2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3047.33241109; Eh
10-Nov-2022	R4-PdL2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2546.10644536; Eh

Showing results 281419 to 281438 of 297975 < previous next >