Molecular electrostatic potentials and electron densities in nitroazacubanes

Journal of Chemical Physics

Volumn 120, Issue 2, 2004, Pages 749-755

  Dhumal, Nilesh R ^a   Patil, Ujwala N ^a   Gejji, Shridhar P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CONFORMATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC DENSITY OF STATES; ELECTROSTATICS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SUBSTITUTION REACTIONS;

HIGHEST OCCUPIED MOLECULAR ORBITAL; ISODESMIC REACTION APPROACH; LOWEST OCCUPIED MOLECULAR ORBITAL; MOLECULAR ELECTRON DENSITY; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR ORBITAL; MULLIKEN POPULATION ANALYSIS; NITROAZACUBANES;

NITROGEN COMPOUNDS;

EID: 0842268400     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1632472     Document Type: Article

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