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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Mar-2023 | /LiB-TMP-no-ansiole B-3CH2SiMe3_XRD | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) GEN | -1370.49355884; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath I6 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2297.32336831; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath I4 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -1950.67388949; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath 2 | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2297.37633348; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath I2 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.78311590; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath I51a | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.79124029; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath I61a | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.81939553; Eh | |||
 | 16-Mar-2023 | /Anisole-lowest-energypath 1 | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.83892116; Eh |
Results 21-28 of 28 (Search time: 0.001 seconds).