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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2026	12H_WcapOt_4H_Wcap_O_Wbelt_2H_Wcap_O_Wcap_singlet	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.18389259; Eh
	31-Jul-2026	12H_WcapOt_5H_Wcap_O_Wbelt_1H_Wcap_O_Wcap_trip	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.21474709; Eh
	31-Jul-2026	12H_WcapOt_5H_Wcap_O_Wbelt_1H_Wcap_O_Wcap_quin	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.19184825; Eh
	31-Jul-2026	12H_WcapOt_3H_Wbelt_O_Wbelt_3H_WbeltOt_tripOS	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.06566409; Eh
	31-Jul-2026	12H_WcapOt_3H_Wcap_O_Wbelt_3H_Wcap_O_Wcap_sept	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.13031372; Eh
	31-Jul-2026	12H_WcapOt_6H_Wcap_O_Wbelt_trip	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.23035312; Eh
	31-Jul-2026	2H_WcapOt_1H_Wcap_O_Wbelt_2H_Wbelt_O_Wbelt_3H_Wcap_O_Wcap_10H_Wb	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.06946004; Eh
	31-Jul-2026	6H_WcapOt_6H_Wcap_O_Wbelt_3H_Wcap_O_Wcap_3H_Wbelt_O_Wbelt_single	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.18719482; Eh
	31-Jul-2026	12H_WcapOt_4H_Wcap_O_Wbelt_2H_Wcap_O_Wcap_sept	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.14462788; Eh
	31-Jul-2026	12H_WcapOt_5H_Wcap_O_Wbelt_1H_Wcap_O_Wcap_sept	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.16831504; Eh

Results 2851-2860 of 2966 (Search time: 0.002 seconds).