Comment on “Extending Hirshfeld-I to bulk and periodic materials”

Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials

(2012) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials

(2011) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Computation of Charge Distribution and Electrostatic Potential in Silicates with the Use of Chemical Potential Equalization Models

(2011) Toon Verstraelen et al.   Journal of Physical Chemistry C

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

(2010) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Atomic charge densities generated using an iterative stockholder procedure

(2009) Timothy C. Lillestolen et al.   JOURNAL OF CHEMICAL PHYSICS

Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges

(2009) Sofie Van Damme et al.   Journal of Chemical Theory and Computation

Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes

(2009) Patrick Bultinck et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water on graphene: Hydrophobicity and dipole moment using density functional theory

(2009) O. Leenaerts et al.   PHYSICAL REVIEW B

Paramagnetic adsorbates on graphene: A charge transfer analysis

(2008) O. Leenaerts et al.   APPLIED PHYSICS LETTERS

Redefining the atom: atomic charge densities produced by an iterative stockholder approach

(2008) Timothy C. Lillestolen et al.   CHEMICAL COMMUNICATIONS