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Showing results 3389 to 3408 of 5692 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox2 s_lin_t_24_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6190016; Eh
2-Oct-2021	/lin/ox2 s_lin_t_24_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6093845; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6491616; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6401978; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6277736; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6513587; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6239247; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6126662; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6377533; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6150752; Eh
2-Oct-2021	/lin/ox2 s_lin_t_27_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6058521; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6473711; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6409949; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6320945; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6289869; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.621183; Eh
2-Oct-2021	/lin/ox2 s_lin_t_33_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6101898; Eh
2-Oct-2021	/lin/ox2 s_lin_t_34_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6470813; Eh
2-Oct-2021	/lin/ox2 s_lin_t_34_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.635232; Eh
2-Oct-2021	/lin/ox2 s_lin_t_34_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6271847; Eh

Showing results 3389 to 3408 of 5692 < previous next >