SOLVENT EFFECT ON THE STRUCTURAL, ELECTRONIC, SPECTRA PROPERTIES AND FIRST HYPERPOLARIZABILITY OF W(CO)5L, L=(4-PYRIDYLMETHYLENE)MALONONITRILE
In this work, the structural, electronic properties, 14N NQR parameters and first hyperpolarizability of W(CO)5L, L=(4-pyridylmethylene)malononitrile complex were computed in gas phase by hybrid functional PBE method with LanL2DZ, and 6-311G(d,p) basis sets for transition metal and man group element...
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Autores principales: | , , |
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Lenguaje: | English |
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Sociedad Chilena de Química
2016
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Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000200015 |
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