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Showing results 3149 to 3168 of 5692 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 s_lin_t_47_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8730219; Eh
2-Oct-2021	/lin/ox1 s_lin_t_77_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8945602; Eh
2-Oct-2021	/lin/ox1 s_lin_t_77_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8862578; Eh
2-Oct-2021	/lin/ox1 s_lin_t_77_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8752341; Eh
2-Oct-2021	/lin/ox1 z_lin_c_22_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.886426; Eh
2-Oct-2021	/lin/ox1 z_lin_c_22_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8580351; Eh
2-Oct-2021	/lin/ox1 z_lin_c_22_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8645041; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8950304; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8854309; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.871358; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8604979; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8774095; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8674672; Eh
2-Oct-2021	/lin/ox1 z_lin_c_23_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8552798; Eh
2-Oct-2021	/lin/ox1 z_lin_c_24_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8876242; Eh
2-Oct-2021	/lin/ox1 z_lin_c_24_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8669514; Eh
2-Oct-2021	/lin/ox1 z_lin_c_24_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.878641; Eh
2-Oct-2021	/lin/ox1 z_lin_c_24_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8486895; Eh
2-Oct-2021	/lin/ox1 z_lin_c_24_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8450822; Eh
2-Oct-2021	/lin/ox1 z_lin_c_27_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8830702; Eh

Showing results 3149 to 3168 of 5692 < previous next >