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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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 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_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6341521; Eh
2-Oct-2021	/cyc/ox1 s_cyc_23_43_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6568642; Eh
2-Oct-2021	/cyc/ox1 s_cyc_23_43_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6606416; Eh
2-Oct-2021	/cyc/ox1 s_cyc_23_43_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6415177; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_34_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7089495; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_34_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7065543; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_34_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7161089; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_43_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7099584; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_43_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.704163; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_43_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7006572; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_45_1_000-1x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6588349; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_45_1_011-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6800562; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_45_1_101-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6712629; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_45_1_110-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6712576; 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 s_cyc_34_54_1_011-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6662578; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_54_1_101-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6687525; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_54_1_110-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6531311; Eh

Showing results 1005 to 1024 of 4467 < previous next >