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Showing results 618 to 637 of 780 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 s_lin_c_47_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6208944; Eh
2-Oct-2021	/lin/ox2 s_lin_c_47_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6111876; Eh
2-Oct-2021	/lin/ox2 s_lin_c_47_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6249452; Eh
2-Oct-2021	/lin/ox2 s_lin_c_47_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6150007; Eh
2-Oct-2021	/lin/ox2 s_lin_c_47_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5991372; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6455853; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6335894; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6205007; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6238768; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6141777; Eh
2-Oct-2021	/lin/ox2 s_lin_c_77_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6084141; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.651984; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6409519; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6338092; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6367914; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6252782; Eh
2-Oct-2021	/lin/ox2 s_lin_t_22_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6197132; Eh
2-Oct-2021	/lin/ox2 s_lin_t_23_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6529687; Eh
2-Oct-2021	/lin/ox2 s_lin_t_23_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.643083; Eh
2-Oct-2021	/lin/ox2 s_lin_t_23_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6320435; Eh

Showing results 618 to 637 of 780 < previous next >