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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2023 | /Cl NaCoHMDS-prod-brCl3 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -3664.23499003; Eh | |||
 | 5-May-2023 | /Cl CoNa2-prod-Cl3b-dispffb | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -7375.30749414; Eh | |||
 | 5-May-2023 | /Cl NaCoHMDS-prod-tCl3 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -3664.24391542; Eh | |||
 | 5-May-2023 | /FH NaCoHMDS-prod-brFH | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2682.34187325; Eh | |||
 | 5-May-2023 | /Cl NaCo-Int-HMDS-2Cl3 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -4401.26828491; Eh | |||
 | 5-May-2023 | /Cl NaCo-Int-2Cl3-HMDS | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -4401.25460493; Eh | |||
 | 5-May-2023 | /FH NaCo-Int-2FH-HMDS | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2437.46022531; Eh | |||
 | 5-May-2023 | /FH NaCoHMDS-prod-tFH | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2682.35243773; Eh | |||
 | 5-May-2023 | /BrF NaCo-Int-2BrF-HMDS-NaFF-dispfbbffb-dispbbb | Mu, Manting | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2090.94090312; Eh | |||
 | 5-May-2023 | /BrF NaCoHMDS-prod-brBrF2b-dispbbb | Mu, Manting | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2509.07873354; Eh |
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