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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Sep-2023 | bsty-aa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -547.481107836; Eh | |||
 | 8-Sep-2023 | bsty-cc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -547.480806899; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-caa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.668187424; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-cac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.662785733; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-cab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.661571771; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-baa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.667137245; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-bab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.667177175; Eh | |||
 | 8-Sep-2023 | b5ldeprot-trans-bac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | 6-31+G(D,P) | -774.667385964; Eh |
Results 21-28 of 28 (Search time: 0.002 seconds).