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Showing results 353 to 372 of 830 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 d_lin_t_27_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8327682; Eh
2-Oct-2021	/lin/ox1 d_lin_t_33_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8927804; Eh
2-Oct-2021	/lin/ox1 d_lin_t_34_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8857236; Eh
2-Oct-2021	/lin/ox1 d_lin_t_34_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8533975; Eh
2-Oct-2021	/lin/ox1 d_lin_t_37_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8885447; Eh
2-Oct-2021	/lin/ox1 d_lin_t_37_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8486781; Eh
2-Oct-2021	/lin/ox1 d_lin_t_44_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8712757; Eh
2-Oct-2021	/lin/ox1 d_lin_t_44_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8411228; Eh
2-Oct-2021	/lin/ox1 d_lin_t_44_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8129358; Eh
2-Oct-2021	/lin/ox1 d_lin_t_47_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8807074; Eh
2-Oct-2021	/lin/ox1 d_lin_t_47_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8387356; Eh
2-Oct-2021	/lin/ox1 d_lin_t_47_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8481974; Eh
2-Oct-2021	/lin/ox1 d_lin_t_47_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8074983; Eh
2-Oct-2021	/lin/ox1 d_lin_t_77_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8864424; Eh
2-Oct-2021	/lin/ox1 d_lin_t_77_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8442571; Eh
2-Oct-2021	/lin/ox1 d_lin_t_77_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8050405; Eh
2-Oct-2021	/lin/ox1 s_lin_c_22_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9050874; Eh
2-Oct-2021	/lin/ox1 s_lin_c_22_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9024931; Eh
2-Oct-2021	/lin/ox1 s_lin_c_22_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8877921; Eh
2-Oct-2021	/lin/ox1 s_lin_c_23_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8997384; Eh

Showing results 353 to 372 of 830 < previous next >