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Electron-correlated calculations, nuclear magnetic resonance chemical

There has been interest in the theoretical treatment of the spectra of the phenanthrolines. Correlations between nuclear magnetic resonance (NMR)42-48 and electronic spectra22,38,40 41,49-51 with various quantum chemical data have been discussed. Often there is reasonable agreement between the calculated and measured spectra. [Pg.8]

J. Gauss, Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shifts, J. Chem. Phys. 99 (1993) 3629. [Pg.142]

Second-Order Many-Body Perturbation Theory Using Gauge-Including Atomic Orbitals. J. Gauss,/. Chem. Phys, 99, 3629 (1993). Effects of Electron Correlation in the Calculation of Nuclear Magnetic Resonance Chemical Shifts. [Pg.254]

See other pages where Electron-correlated calculations, nuclear magnetic resonance chemical is mentioned: [Pg.151]    [Pg.151]    [Pg.241]    [Pg.66]    [Pg.94]    [Pg.246]    [Pg.151]    [Pg.403]    [Pg.244]    [Pg.24]    [Pg.604]    [Pg.322]    [Pg.106]    [Pg.78]   


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Chemical correlators

Chemical electron correlation

Chemical nuclear

Chemical resonance

Correlated calculations

Correlated electrons

Correlation electron

Electron correlation calculations

Electron magnetism

Electron-correlated calculations, nuclear

Electronic calculation

Electronic chemicals

Electronic correlations

Magnetic correlations

Magnetization electronic

Nuclear calculations

Nuclear magnetic resonance chemical

Nuclear magnetic resonance chemical shifts, electron-correlated calculations

Nuclear magnetic resonance correlation

Resonance calculation

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