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Showing results 564 to 583 of 830 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 d_lin_c_27_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6123922; Eh
2-Oct-2021	/lin/ox2 d_lin_c_33_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6423443; Eh
2-Oct-2021	/lin/ox2 d_lin_c_34_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6325599; Eh
2-Oct-2021	/lin/ox2 d_lin_c_34_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.637213; Eh
2-Oct-2021	/lin/ox2 d_lin_c_34_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6039686; Eh
2-Oct-2021	/lin/ox2 d_lin_c_37_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6282747; Eh
2-Oct-2021	/lin/ox2 d_lin_c_37_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6402105; Eh
2-Oct-2021	/lin/ox2 d_lin_c_37_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6001322; Eh
2-Oct-2021	/lin/ox2 d_lin_c_44_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6236672; Eh
2-Oct-2021	/lin/ox2 d_lin_c_44_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5870616; Eh
2-Oct-2021	/lin/ox2 d_lin_c_47_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6192751; Eh
2-Oct-2021	/lin/ox2 d_lin_c_47_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5829161; Eh
2-Oct-2021	/lin/ox2 d_lin_c_47_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6238736; Eh
2-Oct-2021	/lin/ox2 d_lin_c_47_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5866332; Eh
2-Oct-2021	/lin/ox2 d_lin_c_77_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6288834; Eh
2-Oct-2021	/lin/ox2 d_lin_c_77_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5807738; Eh
2-Oct-2021	/lin/ox2 d_lin_t_23_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6594276; Eh
2-Oct-2021	/lin/ox2 d_lin_t_23_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6326199; Eh
2-Oct-2021	/lin/ox2 d_lin_t_24_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6518887; Eh
2-Oct-2021	/lin/ox2 d_lin_t_24_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6232576; Eh

Showing results 564 to 583 of 830 < previous next >