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Showing results 2830 to 2849 of 4467 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 z_lin_t_27_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6087274; Eh
2-Oct-2021	/lin/ox2 z_lin_t_27_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5607352; Eh
2-Oct-2021	/lin/ox2 z_lin_t_33_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6277493; Eh
2-Oct-2021	/lin/ox2 z_lin_t_33_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6159106; Eh
2-Oct-2021	/lin/ox2 z_lin_t_34_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6204831; Eh
2-Oct-2021	/lin/ox2 z_lin_t_34_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6064773; Eh
2-Oct-2021	/lin/ox2 z_lin_t_34_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6100945; Eh
2-Oct-2021	/lin/ox2 z_lin_t_37_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6183214; Eh
2-Oct-2021	/lin/ox2 z_lin_t_37_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6056105; Eh
2-Oct-2021	/lin/ox2 z_lin_t_37_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6044731; Eh
2-Oct-2021	/lin/ox2 z_lin_t_44_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.607811; Eh
2-Oct-2021	/lin/ox2 z_lin_t_47_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6056938; Eh
2-Oct-2021	/lin/ox2 z_lin_t_47_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6057434; Eh
2-Oct-2021	/lin/ox2 z_lin_t_77_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6052509; Eh
2-Oct-2021	/lin/ox3 d_lin_c_33_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3912561; Eh
2-Oct-2021	/lin/ox3 d_lin_c_34_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3820894; Eh
2-Oct-2021	/lin/ox3 d_lin_c_37_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3783702; Eh
2-Oct-2021	/lin/ox3 d_lin_c_44_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.36737; Eh
2-Oct-2021	/lin/ox3 d_lin_c_47_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3613446; Eh
2-Oct-2021	/lin/ox3 d_lin_c_77_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3506881; Eh

Showing results 2830 to 2849 of 4467 < previous next >