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respected sir i want to study the solvent effects on my molecule. For this i used syntax #t scf=maxc
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Great blog! Quick question. We are trying to determine the relative interaction with a protein and a
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Dear Professor, I ask you a stone pertmet information about the calculation of indices fukui. In fac
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Respected Sir Natural Bond Orbitals (Summary) consist numerous values. From which how we interpret t
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Dear sir , i have a problem with the calculation of excited state optimization.For trial i have done
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Hi, Recently I have perfomed a NBO analyis on metal-alkene complex. I have found that the stablizati
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In this blog there is a post about the use of the GEN keyword. Try searching it with the search fiel
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Dear Brady, Please share how you solve your problems regarding gen keyword and EMSL basis set, and h
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