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The quantum-chemical calculation of NMR indirect spin-spin coupling constants
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Basis set exchange: A community database for computational sciences
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Gaussian basis sets of 5 zeta valence quality for correlated wave functions
F. E. Jorge et al.
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Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions
P. L. Barbieri et al.
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The basis set convergence of spin-spin coupling constants calculated by density functional methods
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Assessment of density functionals for predicting one-bond carbon-hydrogen NMR spin-spin coupling constants
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Gaussian basis sets for correlated wave functions. Hydrogen, helium, first- and second-row atoms
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The effect of different density functional methods on basis set parameters
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Polarization consistent basis sets. V. The elements Si-Cl
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Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 8 - Monocycloalkanes
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Substituent effects on scalar 2J(19F,19F) and 3J(19F,19F) NMR couplings:: A comparison of SOPPA and DFT methods
V Barone et al.
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The effect of substituents on indirect nuclear spin-spin coupling constants: Methan- and ethanimine, methanal- and ethanaloxime
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Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 5: Bridged bicycloalkanes
LB Krivdin
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Toward Hartree-Fock- and density functional complete basis-set-predicted NMR parameters
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Polarization consistent basis sets. II. Estimating the Kohn-Sham basis set limit
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Polarization consistent basis sets: Principles
F Jensen
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The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X=CH2, NH, O, S):: Ab initio calculations using optimized contracted basis sets
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The accurate determination of molecular equilibrium structures
KL Bak et al.
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A road map for the calculation of molecular binding energies
TH Dunning
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Unexpected differential sensitivity of nuclear spin-spin-coupling constants to bond stretching in BH4-, NH4+, and SiH4
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