The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide

Acta Crystallographica Section B: Structural Science

Volumn 65, Issue 5, 2009, Pages 647-658

  Tsirelson, Vladimir G ^a   Shishkina, Anastasia V ^a   Stash, Adam I ^a,b   Parsons, Simon ^c  

^a MENDELEEV UNIVERSITY OF CHEMICAL TECHNOLOGY OF RUSSIA   (Russian Federation)

^b KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^c UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC AND MOLECULAR INTERACTION; BOND PATHS; CORRELATION ENERGY; DINITROGEN; ELECTRON DENSITIES; ELECTROSTATIC INTERACTIONS; ELECTROSTATIC POTENTIALS; EXCHANGE AND CORRELATION; EXCHANGE ENERGY; EXPERIMENTAL ELECTRON DENSITY; FLUX SURFACES; FUNCTIONALS; GEOMETRY OPTIMIZATION; HANSEN-COPPENS MULTIPOLE MODEL; HIGH RESOLUTION; INTER-MOLECULAR BONDING; INTERMOLECULAR BONDS; INTERMOLECULAR INTERACTIONS; LAPLACIANS; LOW TEMPERATURES; POTENTIAL ENERGY DENSITY; QUANTUM THEORY OF ATOMS IN MOLECULES; TOPOLOGICAL THEORY; X-RAY DIFFRACTION DATA;

ACTIVE NETWORKS; ATOMS; CARRIER CONCENTRATION; CRYSTALLINE MATERIALS; ELECTRON DENSITY MEASUREMENT; ELECTROSTATICS; LAPLACE TRANSFORMS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; MOLECULES; POTENTIAL ENERGY; QUANTUM THEORY; THREE DIMENSIONAL; X RAY DIFFRACTION;

ELECTRONS;

EID: 70349601160     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768109028821     Document Type: Article

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