Critic2: A program for real-space analysis of quantum chemical interactions in solids

Computer Physics Communications

Volumn 185, Issue 3, 2014, Pages 1007-1018

  Otero De La Roza, A ^a   Johnson, Erin R ^a   Luaña, Víctor ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Atomic charges; Electron density; Non covalent interactions (NCI) index; Quantum Chemical Topology (QCT); Quantum Theory of Atoms in Molecules (QTAIM)

Indexed keywords

ATOMIC AND MOLECULAR INTERACTION; ATOMIC CHARGE; ELECTRON LOCALIZATION FUNCTION; GRAPHICAL REPRESENTATIONS; NON-COVALENT INTERACTION; QUANTUM CHEMICAL TOPOLOGY; QUANTUM THEORY OF ATOMS IN MOLECULES; REAL-SPACE ANALYSIS; (NCI) INDEX; (QCT); (QTAIM); QUANTUM; THEORY OF;

CARRIER CONCENTRATION; ELECTRON DENSITY MEASUREMENT; QUANTUM CHEMISTRY; QUANTUM THEORY; MOLECULES; TOPOLOGY;

ATOMS; CHEMICALS;

EID: 84893733233     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2013.10.026     Document Type: Article

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