Work

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

Year: 2010

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/ct100125x

Authors: Thomas A. Manz, David S. Sholl

Institution: Georgia Institute of Technology

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: U.S. Department of Energy, University of Ghana Business School

Award: COMPUTATIONAL CATALYSIS AND ATOMIC-LEVEL SYNTHESIS OF MATERIALS: BUILDING EFFECTIVE CATALYSTS FROM FIRST PRINCIPLES - EFRC

OpenAlex ID: W2008978792

FWCI: 6.365

Cites: 53

Cited by: 478

Related to: 10