Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimlne: An assessment of electron correlation contributions

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 4389-4396

  Jacquemin, Denis ^a,b   André, Jean Marie ^a   Perpète, Eric A ^a,b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b FUND FOR SCIENTIFIC RESEARCH   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); DIPOLE MOMENTS; HYPERPOLARIZABILITY; POLYMETHINEIMINE;

CHEMICAL BONDS; COMPUTATIONAL GEOMETRY; CORRELATION METHODS; ELECTRIC FIELD EFFECTS; EXTRAPOLATION; GROUND STATE; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; PARAMAGNETIC RESONANCE; POLARIZATION; POLYACETYLENES; PROBLEM SOLVING; RELIABILITY; SIZE DETERMINATION;

OLIGOMERS;

EID: 4644252514     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1775181     Document Type: Article

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