A QTAIM and stress tensor perspective of large-amplitude motions of the tetrasulfur tetranitride S4N4molecular graph

Biphenyl: A stress tensor and vector-based perspective explored within the quantum theory of atoms in molecules

(2015) Samantha Jenkins et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Bond metallicity measures

(2015) Paul W. Ayers et al.   Computational and Theoretical Chemistry

A QTAIM perspective of the Si6Li6 potential energy surface using quantum topology phase diagrams

(2014) Chen-Xia Xiao et al.   CHEMICAL PHYSICS LETTERS

From Eight-Membered 10π Electron Sulfur-Nitrogen Cycles to Bicycles and Cages: A Theoretical Approach

(2014) Rolf Gleiter et al.   CHEMISTRY-A EUROPEAN JOURNAL

How does the ambiguity of the electronic stress tensor influence its ability to serve as bonding indicator

(2014) Kati Finzel   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Vibrational Spectra, Theoretical Calculations, and Two-Dimensional Potential Energy Surface for the Ring-Puckering Vibrations of 2,4,7-Trioxa[3.3.0]octane

(2014) Hye Jin Chun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective

(2014) Samantha Jenkins et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Pt site reactivity of the molecular graphs of Au6Pt isomers

(2013) Tianlv Xu et al.   CHEMICAL PHYSICS LETTERS

Quantum topology phase diagrams for molecules, clusters, and solids

(2013) Samantha Jenkins   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The Nature of Transannular Interactions in E4N4 and E82+ (E = S, Se)

(2012) Jani Moilanen et al.   Journal of Chemical Theory and Computation

Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density

(2011) Alfredo Guevara-García et al.   JOURNAL OF CHEMICAL PHYSICS

Spanning Set of Silica Cluster Isomer Topologies from QTAIM

(2011) Samantha Jenkins et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spanning QTAIM topology phase diagrams of water isomers W4, W5 and W6

(2011) Samantha Jenkins et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How Ambiguous Is the Local Kinetic Energy?†

(2010) James S. M. Anderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bond metallicity of materials from real space charge density distributions

(2009) S. Jenkins et al.   CHEMICAL PHYSICS LETTERS

Photochemical Study on the Reactivity of Tetrasulfur Tetranitride, S4N4

(2009) Elena A. Pritchina et al.   INORGANIC CHEMISTRY

An electron-preceding perspective on the deformation of materials

(2009) Paul W. Ayers et al.   JOURNAL OF CHEMICAL PHYSICS