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Fixed node diffusion Monte Carlo energies for over one thousand small organic...
In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by... -
Fixed node diffusion Monte Carlo energies for over one thousand small organic...
In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by... -
Dictionary of 140k GDB and ZINC derived AMONs
We present all AMONs for GDB and Zinc data-bases using no more than 7 non-hydrogen atoms (AGZ7)---a calculated organic chemistry building-block dictionary based on the AMON...
