Dataset - B2FIND

Evaluating charge equilibration methods to generate electrostatic fields in n...

Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small...
Evaluating charge equilibration methods to generate electrostatic fields in n...

Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small...

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2 datasets found