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Questions related from Aleksey E. Kuznetsov
Dear All, my question is as follows: I downloaded Molden 5.8.2 version for Windows to my Acer laptop which has Windows 11 and is 64 bit machine. After unzipping the Molden file exactly Molden for...
09 March 2023 6,821 6 View
Hi All, I encountered the following problem when trying to perform NBO calculation with Gaussian 16 software for the cluster Ce3O7AgCu in the gas phase: the calculation was terminated with the...
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Dear All, I have been trying to perform TDDFT calculation for the Ga-phthalocyanine complex, and this calculation has been terminated with the following error message: Largest valence mixing...
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Dear All, while running the frequency calculation for the system with 2 Pd atoms and 96 lighter atoms, B3LYP functional used, 6-31G* basis set for lighter atoms and Lanl2dz for Pd, SCRF (PCM...
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