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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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[…] project related to medicinal chemistry which is not really my thing. Still, we were able t
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Dear Joaquim, thanks for your explanations, they are always very useful. I am trying to perform a si
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Thank you for sharing this Dr Barroso. Is there a simple way of saving computational time when runni
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Hi Can we print Normalised GTO primitives exponents and coefficients: exponents and coefficients usi
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Inorganic chemistry collaborations can be challenging with all those heavy elements, but at the same
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Hi Dr. I want to know whether we can calculate charge transfer integral (t) directly from Gaussian o
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Hi How can I calculate rotational component of velocity from MD simulation? I am using Lammps softwa
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Dear Joaquin! I'm using Gaussian and I'm having difficulty with the SVP + sp input base because it g
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very nice homo lumo