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Showing results 2810 to 2829 of 4467 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 z_lin_c_37_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6178871; Eh
2-Oct-2021	/lin/ox2 z_lin_c_37_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6042428; Eh
2-Oct-2021	/lin/ox2 z_lin_c_37_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6034921; Eh
2-Oct-2021	/lin/ox2 z_lin_c_44_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.606938; Eh
2-Oct-2021	/lin/ox2 z_lin_c_47_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6056848; Eh
2-Oct-2021	/lin/ox2 z_lin_c_47_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6063173; Eh
2-Oct-2021	/lin/ox2 z_lin_c_77_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.607491; Eh
2-Oct-2021	/lin/ox2 z_lin_t_22_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6189645; Eh
2-Oct-2021	/lin/ox2 z_lin_t_22_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6116682; Eh
2-Oct-2021	/lin/ox2 z_lin_t_22_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5821833; Eh
2-Oct-2021	/lin/ox2 z_lin_t_23_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6282809; Eh
2-Oct-2021	/lin/ox2 z_lin_t_23_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6148729; Eh
2-Oct-2021	/lin/ox2 z_lin_t_23_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6083499; Eh
2-Oct-2021	/lin/ox2 z_lin_t_23_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.594569; Eh
2-Oct-2021	/lin/ox2 z_lin_t_24_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6213314; Eh
2-Oct-2021	/lin/ox2 z_lin_t_24_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6085862; Eh
2-Oct-2021	/lin/ox2 z_lin_t_24_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6078192; Eh
2-Oct-2021	/lin/ox2 z_lin_t_24_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5766316; Eh
2-Oct-2021	/lin/ox2 z_lin_t_27_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6267056; Eh
2-Oct-2021	/lin/ox2 z_lin_t_27_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6199367; Eh

Showing results 2810 to 2829 of 4467 < previous next >