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Showing results 490 to 509 of 830 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/lin/ox1 z_lin_c_34_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8632834; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8773598; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8451668; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8547164; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8647424; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.834842; Eh
2-Oct-2021	/lin/ox1 z_lin_c_34_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8452525; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8812669; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8567758; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8428029; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8692798; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8450435; Eh
2-Oct-2021	/lin/ox1 z_lin_c_37_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8341964; Eh
2-Oct-2021	/lin/ox1 z_lin_c_44_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8579031; Eh
2-Oct-2021	/lin/ox1 z_lin_c_44_1_010-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8590444; Eh
2-Oct-2021	/lin/ox1 z_lin_c_44_1_100-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8380482; Eh
2-Oct-2021	/lin/ox1 z_lin_c_47_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8647193; Eh
2-Oct-2021	/lin/ox1 z_lin_c_47_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8579987; Eh
2-Oct-2021	/lin/ox1 z_lin_c_47_1_001-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8396471; Eh
2-Oct-2021	/lin/ox1 z_lin_c_47_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8594855; Eh

Showing results 490 to 509 of 830 < previous next >