Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function

(2012) Piotr de Silva et al.   CHEMPHYSCHEM

Generalized charge sensitivity analysis

(2012) Anna Stachowicz et al.   STRUCTURAL CHEMISTRY

What Is the Covalency of Hydrogen Bonding?

(2011) Sławomir Janusz Grabowski   CHEMICAL REVIEWS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Charge sensitivity analysis in force-field-atom resolution

(2011) Anna Stachowicz et al.   JOURNAL OF MOLECULAR MODELING

Defining the hydrogen bond: An account (IUPAC Technical Report)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

Energy partitioning scheme based on self-consistent method for subsystems: Populational space approach

(2010) Piotr De Silva et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions

(2009) Robert S. Paton et al.   Journal of Chemical Information and Modeling

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme

(2008) Zuzana Jiroušková et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Bond Orbitals from Chemical Valence Theory

(2008) Artur Michalak et al.   JOURNAL OF PHYSICAL CHEMISTRY A