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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 5-May-2023 | /BrF NaCoHMDS-prod-tBrF-dispbbfbb | Mu, Manting | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2509.09019372; Eh | |||
 | 5-May-2023 | /BrF NaCo-Int-2BrF-HMDS-NaBrBr | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2090.94224515; Eh | |||
 | 5-May-2023 | /BrF NaCo-Int-2BrF-HMDS-NaBrF | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2090.94231606; Eh | |||
 | 5-May-2023 | /BrF NaCo-Int-HMDS-2BrF_NaBr | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2090.95621666; Eh | |||
 | 5-May-2023 | /BrF NaCo-Int-HMDS-2BrF_NaF | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2090.95937532; Eh | |||
 | 5-May-2023 | /BrF NaCoHMDS-prod-brBrF1 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2509.08447452; Eh | |||
 | 5-May-2023 | /BrF CoNa2-prod-BrFb | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2754.71561698; Eh | |||
 | 5-May-2023 | /BrF CoNa2-prod-BrF4 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2754.71561726; Eh | |||
 | 5-May-2023 | /BrF CoNa2-prod-BrF3 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2754.71725352; Eh |
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