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Gauge-including atomic orbitals nuclear magnetic resonance

Bohmaim JA, Weinhold F, Farrar TC (1997) Natural chemical shielding analysis or nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations. J Chem Phys 107 1173-1184... [Pg.454]

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]

Kussmann, J., 8c Ochsenfeld, C. (2007). Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory. Journal of Chemical Physics, 127, 054103. [Pg.437]

See other pages where Gauge-including atomic orbitals nuclear magnetic resonance is mentioned: [Pg.116] [Pg.320] [Pg.316] [Pg.1724]

See also in sourсe #XX -- [ Pg.137 , Pg.138 ]

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Atomic magnetic resonance

Atomic orbitals , nuclear magnetic

Atomic orbitals resonance

Atoms nuclear atom

Gauge magnetic

Gauge-included atomic orbitals

Gauge-including atomic orbital

Magnetic atoms

Magnetic orbital

Magnetism atomic

Nuclear atom

Orbit magnetism

Orbital gauge-including

Orbital magnetism

Orbital magnets

Orbital resonance

Orbitals, nuclear

Resonance, orbiting

Resonances orbitals

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