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Showing results 378 to 397 of 780 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 s_lin_t_24_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8803812; Eh
2-Oct-2021	/lin/ox1 s_lin_t_24_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9008202; Eh
2-Oct-2021	/lin/ox1 s_lin_t_24_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8923882; Eh
2-Oct-2021	/lin/ox1 s_lin_t_24_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8796611; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.897363; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8938246; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8786086; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8983568; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8936228; Eh
2-Oct-2021	/lin/ox1 s_lin_t_27_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8821292; Eh
2-Oct-2021	/lin/ox1 s_lin_t_33_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8982782; Eh
2-Oct-2021	/lin/ox1 s_lin_t_33_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8948676; Eh
2-Oct-2021	/lin/ox1 s_lin_t_33_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8805888; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8988865; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8868369; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_000-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8805102; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_011-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8953818; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_101-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8885237; Eh
2-Oct-2021	/lin/ox1 s_lin_t_34_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8757854; Eh
2-Oct-2021	/lin/ox1 s_lin_t_37_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.897975; Eh

Showing results 378 to 397 of 780 < previous next >