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Showing results 318 to 337 of 830 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 d_lin_c_24_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9069662; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8739982; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8689524; Eh
2-Oct-2021	/lin/ox1 d_lin_c_24_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.838217; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9103027; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8706798; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8721455; Eh
2-Oct-2021	/lin/ox1 d_lin_c_27_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8523337; Eh
2-Oct-2021	/lin/ox1 d_lin_c_33_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8922062; Eh
2-Oct-2021	/lin/ox1 d_lin_c_34_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8840842; Eh
2-Oct-2021	/lin/ox1 d_lin_c_34_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8522674; Eh
2-Oct-2021	/lin/ox1 d_lin_c_37_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8887629; Eh
2-Oct-2021	/lin/ox1 d_lin_c_37_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8482205; Eh
2-Oct-2021	/lin/ox1 d_lin_c_44_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8811798; Eh
2-Oct-2021	/lin/ox1 d_lin_c_44_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8434941; Eh
2-Oct-2021	/lin/ox1 d_lin_c_44_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8187595; Eh
2-Oct-2021	/lin/ox1 d_lin_c_47_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8816396; Eh
2-Oct-2021	/lin/ox1 d_lin_c_47_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8427854; Eh
2-Oct-2021	/lin/ox1 d_lin_c_47_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8491233; Eh
2-Oct-2021	/lin/ox1 d_lin_c_47_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8123315; Eh

Showing results 318 to 337 of 830 < previous next >