F
Feiwu Chen
Researcher at University of Science and Technology Beijing
Publications - 10
Citations - 18920
Feiwu Chen is an academic researcher from University of Science and Technology Beijing. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 5, co-authored 5 publications receiving 10712 citations.
Papers
More filters
Journal ArticleDOI
Multiwfn: a multifunctional wavefunction analyzer.
Tian Lu,Feiwu Chen +1 more
TL;DR: Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn, a multifunctional program for wavefunction analysis.
Journal ArticleDOI
Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm.
Tian Lu,Feiwu Chen +1 more
TL;DR: This article proposes a simple and reliable method to eliminate these unreasonably distributed surface vertices generated in the original MT, which can save more than 60% of total analysis time of electrostatic potential, yet the loss in accuracy is almost negligible.
Journal ArticleDOI
Atomic dipole moment corrected hirshfeld population method
Tian Lu,Feiwu Chen +1 more
TL;DR: In this paper, the preservation of the molecular dipole moment is imposed upon the Hirshfeld population analysis as another constraint to improve the original Hirschfeld charges, where each atomic dipolar moment defined by the deformation density is expanded as contributions from all atoms in the molecule.
Journal ArticleDOI
Comparative study on the methods for predicting the reactive site of nucleophilic reaction
TL;DR: In this article, detailed comparative analyses on the reliability of 14 methods are carried out and three series of molecules, carbonyl compounds, aromatic hydrocarbons and pyridine derivatives are exploited as test systems.
Journal ArticleDOI
On the performance of the open-shell perturbation theory
Feiwu Chen,MeiJu Wei,Wenjian Liu +2 more
TL;DR: In this article, a few open-shell molecules are taken as examples in order to examine the performance of the openshell perturbation theory for electron correlation (J Chem Theory Comput, 2009, 5: 931-936).