Bond metallicity measures Journal Articles

authors

• Ayers, Paul
• Jenkins, Samantha

status

• published 

publication date

• February 2015

has subject area

• 0306 Physical Chemistry (incl. Structural) (FoR)
• 0307 Theoretical and Computational Chemistry (FoR)

published in

• Computational and Theoretical Chemistry  Journal

keywords

• Bond metallicity measure
• CHARGE-DENSITY
• Chemistry
• Chemistry, Physical
• DENSITY-FUNCTIONAL THEORY
• DIRECT SPACE REPRESENTATION
• ELECTRON LOCALIZATION FUNCTION
• EXCHANGE-ENERGY
• EXPONENTIAL DECAY DETECTOR
• Electron delocalization
• LOCAL KINETIC-ENERGY
• Local kinetic energy
• Local temperature
• Metallic bonding
• Nighness
• Physical Sciences
• QUANTUM-THEORY
• SHELL STRUCTURE
• STRESS TENSOR INFLUENCE
• Science & Technology

Digital Object Identifier (DOI)

• 10.1016/j.comptc.2014.10.040

start page

• 112

end page

• 122

volume

• 1053