Parameterization of Boronates Using VFFDT and Paramfit for Molecular Dynamics Simulation

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

(2018) Daniel G. A. Smith et al.   Journal of Chemical Theory and Computation

Synthesis of biologically active boron-containing compounds

(2018) Fei Yang et al.   MedChemComm

VFFDT: A New Software for Preparing AMBER Force Field Parameters for Metal-Containing Molecular Systems

(2016) Suqing Zheng et al.   Journal of Chemical Information and Modeling

Paramfit: Automated optimization of force field parameters for molecular dynamics simulations

(2014) Robin M. Betz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Systematic Derivation of AMBER Force Field Parameters Applicable to Zinc-Containing Systems

(2010) Fu Lin et al.   Journal of Chemical Theory and Computation

Evaluation of Amber force field parameters for copper(II) with pyridylmethyl-amine and benzimidazolylmethyl-amine ligands: A quantum chemical study

(2008) Yanyan Zhu et al.   CHEMICAL PHYSICS LETTERS