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ACI Scholarly Blog Index
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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Dear Neha, Can you show me your input? Did you generalize the basis set or directly put in the input
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Dear Sir, i am trying to find intermolecular hydrogen bond interactions in dimer structure of an org
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Hi There, Thank you SO MUCH! I was actually holding my breath as I followed these directions. It wor
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#imaginary frequency Hi sir while i am calculating the temperature files by using the following path
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Dear Sir, I am trying to learn the potential energy surface (PES) scan of the small donor molecule/P
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Hola. He tenido exactamente el mismo error, "Inv3 failed in PCMMkU", para el cual estoy encontrando
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Dear Dr. Joaquin, I am trying to find a transtion state for the reaction between aminoguanidine and
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prof premraj pushpakaran writes -- 2018 marks the 100th birth year of Fukui Kenichi!!!
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which software do you use to generate those 3D molecules? They look pretty.
Thanks! We use Qutemol which is free of use. It works only with PDB files but Open Babel can be used to transform your inputs into suitable files.