ioChem-BD Browse - UdG: Search

Search

previous
1
...
75
76
77
78
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/cyc/ox1 s_cyc_17_23_1_x00-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6446406; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_12_34_1_x10-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.623558; Eh
	2-Oct-2021	/cyc/ox2 z_cyc_23_34_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3938248; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_23_43_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6400698; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_23_43_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6601813; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_23_43_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6408833; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_34_34_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7079948; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_34_54_2_011-1x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3984009; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_34_54_1_000-1x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6479177; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_34_76_1_100-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6396306; Eh

Results 771-780 of 780 (Search time: 0.001 seconds).