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Showing results 398 to 417 of 780 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 s_lin_t_37_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.888338; Eh
2-Oct-2021	/lin/ox1 s_lin_t_37_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8764261; Eh
2-Oct-2021	/lin/ox1 s_lin_t_37_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.894943; Eh
2-Oct-2021	/lin/ox1 s_lin_t_37_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8867147; Eh
2-Oct-2021	/lin/ox1 s_lin_t_37_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8751103; Eh
2-Oct-2021	/lin/ox1 s_lin_t_44_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8950015; Eh
2-Oct-2021	/lin/ox1 s_lin_t_44_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8833383; Eh
2-Oct-2021	/lin/ox1 s_lin_t_44_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8744546; Eh
2-Oct-2021	/lin/ox1 s_lin_t_47_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8952812; Eh
2-Oct-2021	/lin/ox1 s_lin_t_47_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8826726; Eh
2-Oct-2021	/lin/ox1 s_lin_t_47_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8732877; Eh
2-Oct-2021	/lin/ox1 s_lin_t_47_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8945038; Eh
2-Oct-2021	/lin/ox1 s_lin_t_47_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8824851; Eh
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

Showing results 398 to 417 of 780 < previous next >