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Spin-polarized density functional theory chemical reactivity

Spin-Polarized Density Functional Theory Chemical Reactivity... [Pg.137]

Galvan, M., Vela, A., and Gazquez, J.L. 1988. Chemical reactivity in spin-polarized density functional theory. J. Phys. Chem. 92 6470-6474. [Pg.152]

Guerra, D., Andres, J., Chamorro, E., and Perez, P. 2007. Understanding the chemical reactivity of phenylhalocarbene systems an analysis based on the spin-polarized density functional theory. Theor. Chem. Acc. 118 325-335. [Pg.153]


See other pages where Spin-polarized density functional theory chemical reactivity is mentioned: [Pg.142]    [Pg.259]    [Pg.137]    [Pg.68]    [Pg.580]   


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Chemical density

Chemical functionalization

Chemical functions

Chemical reactivity density functional theory

Chemical reactivity theory

Chemically polar

Chemicals functional

Functionalized reactivity

Polar functionalities

Polar theory

Polarity function

Polarity reactivity

Polarization chemical

Polarization density

Polarization functions

Polarization theory

Spin density

Spin functions

Spin-density functionals

Spin-polarized

Spin-polarized density functional theory

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