Hello
Is it possible to compute intermolecular interactions in a mixture of solvent using DFT tools in Gaussian-09 or GAMESS US, DMOl3 or any other computational chemistry code? For example we are using SMD, CPCM model in Gaussian-09 or GAMESS US or Dmol3 for single solvent so how we use these models for a mixture of solvent? Like I am doing simulations for ions adsorption on cathode materials using two organic solvents i.e. A+B at the same time.
Best wishes
Dear Adnan Ali Khan To my understanding, an atom is a complete well organization in small body, that QM is a wrong perception to follow.
I know it is unprecedented, yet it is reality.
ATOMS ARE SMART. we must follow its nature.
To understand its nature we must take and exam atom as whole, not by its part. .
A+B in the atomic behavior does not exist. i.e. A=oil, and B=water. A+B= A+B nature.
Article Hydrogen's Journey in the Universe
regards
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