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Showing results 2770 to 2789 of 4618 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 d_lin_t_44_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6251674; Eh
2-Oct-2021	/lin/ox2 d_lin_t_44_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5889082; Eh
2-Oct-2021	/lin/ox2 d_lin_t_47_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6160955; Eh
2-Oct-2021	/lin/ox2 d_lin_t_47_2_100-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5824316; Eh
2-Oct-2021	/lin/ox2 d_lin_t_47_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6284342; Eh
2-Oct-2021	/lin/ox2 d_lin_t_47_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5802232; Eh
2-Oct-2021	/lin/ox2 d_lin_t_77_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6241698; Eh
2-Oct-2021	/lin/ox2 d_lin_t_77_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.586863; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6488331; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6450494; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6290297; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6353347; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6261793; Eh
2-Oct-2021	/lin/ox2 s_lin_c_22_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6135207; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6549363; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6418604; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6344945; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6464205; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.634827; Eh
2-Oct-2021	/lin/ox2 s_lin_c_23_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6245385; Eh

Showing results 2770 to 2789 of 4618 < previous next >