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Showing results 4769 to 4788 of 6023 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Sep-2016	quan1	Gaggioli, Carlo Alberto	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-499.814153210; Eh
21-Jan-2026	(R,R)-10c-NMR	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD; RmPW1PW91	6-31+G(D,P) GEN	-353.8221859; Eh
21-Jan-2026	(R,R)-10d-NMR	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD; RmPW1PW91	6-31+G(D,P) GEN	-429.0576722; Eh
20-Jan-2026	(R,S)-10a-	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31+G(D,P)	-541.794336184; Eh
20-Jan-2026	(R,S)-10a-Prod	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31+G(D,P)	-353.077949753; Eh
20-Jan-2026	(R,S)-10a-TS	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31+G(D,P)	-353.032803105; Eh
21-Jan-2026	(R,S)-10c-NMR	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD; RmPW1PW91	6-31+G(D,P) GEN	-353.8225197; Eh
21-Jan-2026	(R,S)-10d-NMR	Berga, Cristina	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD; RmPW1PW91	6-31+G(D,P) GEN	-429.0578317; Eh
10-Nov-2025	RC_ACT_D60N_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4563.7963884; Eh
10-Nov-2025	RC_ACT_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-281.0257605; Eh
10-Nov-2025	RC_ACT_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.414969; Eh
22-Oct-2020	RC_C60	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3471.3052608; Eh
22-Oct-2020	RC_C60	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3471.3052608; Eh
22-Oct-2020	RC_C60	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3471.3052608; Eh
22-Oct-2020	RC_C70_alpha	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4295114; Eh
22-Oct-2020	RC_C70_alpha	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4295114; Eh
22-Oct-2020	RC_C70_alpha	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4295114; Eh
22-Oct-2020	RC_C70_alpha_bis	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4305165; Eh
22-Oct-2020	RC_C70_alpha_bis	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4305165; Eh
22-Oct-2020	RC_C70_alpha_bis	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4305165; Eh

Showing results 4769 to 4788 of 6023 < previous next >