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Showing results 1014 to 1033 of 4467 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
2-Oct-2021	/cyc/ox1 s_cyc_34_67_1_000-11x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6516224; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_67_1_011-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6723057; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_67_1_101-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6741001; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_67_1_110-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6612349; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_76_1_000-11x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6521676; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_76_1_011-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6793637; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_76_1_101-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6704838; Eh
2-Oct-2021	/cyc/ox1 s_cyc_34_76_1_110-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6703421; Eh
2-Oct-2021	/cyc/ox1 z_cyc_12_17_1_x01-x10	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5817073; Eh

Showing results 1014 to 1033 of 4467 < previous next >