ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
788
789
790
791
792
793
794
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2026	/5MCCs/5MCC_Cyclohexane (1e) a1_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1284.07312352; Eh
	13-May-2026	/7MCCs/7MCC_Me_alpha (3c) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1245.94812005; Eh
	13-May-2026	/7MCCs/7MCC_Cyc (3d) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1939.75760647; Eh
	13-May-2026	/5MCCs/5MCC-Me (1b) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1549.03937513; Eh
	13-May-2026	/7MCCs/7MCC_Ocyc (3g) ts2prop	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	wb97xd	6-311G(D,P)	-2133.84865616; Eh
	13-May-2026	/5MCCs/5MCC-Me (1b) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1549.04304113; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Ethyl_Phenyl (2aa) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1476.97237253; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_DiEthyl (2x) a1_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1863.54781534; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_RR (2f) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1706.29322530; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_SS (2h) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1706.29530707; Eh

Results 7901-7910 of 103542 (Search time: 0.007 seconds).