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Showing results 2339 to 2358 of 4467 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox0 s_lin_t_27_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1476431; Eh
2-Oct-2021	/lin/ox0 s_lin_t_33_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1476067; Eh
2-Oct-2021	/lin/ox0 s_lin_t_34_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1451262; Eh
2-Oct-2021	/lin/ox0 s_lin_t_37_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1468539; Eh
2-Oct-2021	/lin/ox0 s_lin_t_44_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1431058; Eh
2-Oct-2021	/lin/ox0 s_lin_t_47_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1444174; Eh
2-Oct-2021	/lin/ox0 s_lin_t_77_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1027.1441042; Eh
2-Oct-2021	/lin/ox1 d_lin_c_22_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9120754; Eh
2-Oct-2021	/lin/ox1 d_lin_c_22_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8931536; Eh
2-Oct-2021	/lin/ox1 d_lin_c_22_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8622063; Eh
2-Oct-2021	/lin/ox1 d_lin_c_23_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9051083; Eh
2-Oct-2021	/lin/ox1 d_lin_c_23_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.879208; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9069662; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8739982; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8689524; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.838217; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9103027; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8706798; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8721455; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8523337; Eh

Showing results 2339 to 2358 of 4467 < previous next >