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Showing results 2371 to 2390 of 4467 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 d_lin_c_77_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.88021; Eh
2-Oct-2021	/lin/ox1 d_lin_c_77_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8825644; Eh
2-Oct-2021	/lin/ox1 d_lin_c_77_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.796596; Eh
2-Oct-2021	/lin/ox1 d_lin_t_22_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9110322; Eh
2-Oct-2021	/lin/ox1 d_lin_t_22_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8913724; Eh
2-Oct-2021	/lin/ox1 d_lin_t_22_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8641183; Eh
2-Oct-2021	/lin/ox1 d_lin_t_23_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9072747; Eh
2-Oct-2021	/lin/ox1 d_lin_t_23_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8807171; Eh
2-Oct-2021	/lin/ox1 d_lin_t_24_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9025771; Eh
2-Oct-2021	/lin/ox1 d_lin_t_24_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8731945; Eh
2-Oct-2021	/lin/ox1 d_lin_t_24_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8754926; Eh
2-Oct-2021	/lin/ox1 d_lin_t_24_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8448266; Eh
2-Oct-2021	/lin/ox1 d_lin_t_27_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9045545; Eh
2-Oct-2021	/lin/ox1 d_lin_t_27_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8773231; Eh
2-Oct-2021	/lin/ox1 d_lin_t_27_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8855023; Eh
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

Showing results 2371 to 2390 of 4467 < previous next >