ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
184
185
186
187
188
189
190
...
284
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Dec-2025	TS1-Oterminal	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP GEN	-1991.66551526; Eh
	18-Dec-2025	mo6-o17-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1991.69659883; Eh
	9-Jun-2025	ss3-H-2e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.76226365; Eh
	9-Jun-2025	ss3-H-e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.62993383; Eh
	9-Jun-2025	ss4-2e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.27252092; Eh
	9-Jun-2025	ss3-e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.14019049; Eh
	9-Jun-2025	ss3-H	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.48892012; Eh
	9-Jun-2025	ss3	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3588.00187282; Eh
	13-May-2025	ipInt5N_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2394.76216591; Eh
	18-Dec-2025	I3-Oterminal	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.68466062; Eh

Results 1861-1870 of 2835 (Search time: 0.001 seconds).