Atomic Charges for Classical Simulations of Polar Systems

By Hendrik Heinz, U. Suter. 2004

212 citations recorded by the source corpus.

Subfields: Ceramics and Composites, Geophysics, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/a6621ce235b353a21c2e385dbfc6d1ab8b50039b

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Ceramics and Composites

1. Tzu-Jen Lin
2. Hendrik Heinz
3. R. Pellenq

In Geophysics

1. Tzu-Jen Lin
2. A. Kalinichev
3. Hendrik Heinz
4. R. Pellenq

In Inorganic Chemistry

1. Tzu-Jen Lin
2. Hendrik Heinz

Citations in the corpus

• cemff: A force field database for cementitious materials including validations, applications and opportunities (2017, background): “However, one has to remember that it does neglect the nature of chemical bonding which is predominantly covalent and only partially ionic for most silicates [64].”
• Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF (2017, methodology): “A key aspect of the assignment of force field parameters are the atomic charges as they represent the balance between covalent and ionic bonding [28].”