ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
284
285
286
287
288
289
290
...
297
next

Item hits:

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_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	-6583.18845508; Eh
	31-Jul-2026	12H_WcapOt_3H_Wcap_O_Wbelt_3H_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	-6583.14930181; Eh
	31-Jul-2026	12H_WcapOt_3H_Wcap_O_Wbelt_3H_Wcap_O_Wcap_sing	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.16077350; Eh
	31-Jul-2026	12H_WcapOt_6H_Wcap_O_Wbelt_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	-6583.21293955; Eh
	31-Jul-2026	12H_WcapOt_6H_Wcap_O_Wbelt_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	-6583.19533007; Eh
	31-Jul-2026	12H_WcapOt_6H_Wcap_O_Wbelt_sing	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.25151920; Eh
	31-Jul-2026	12H_WcapOt_5H_Wcap_O_Wbelt_1H_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	-6583.22258947; Eh
	31-Jul-2026	6H_WcapOt_6H_Wcap_O_Wbelt_6H_Wbelt_O_Wbelt_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	-6583.15616673; Eh
	31-Jul-2026	12H_WcapOt_4H_Wcap_O_Wbelt_2H_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	-6583.17087815; Eh
	31-Jul-2026	12H_WcapOt_3H_Wcap_O_Wbelt_3H_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	-6583.16419239; Eh

Results 2861-2870 of 2966 (Search time: 0.002 seconds).