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The Journal of Organic Chemistry, ISSN 0022-3263, 09/2014, Volume 79, Issue 17, pp. 8397 - 8406
Spin–spin coupling constants in 1H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However,... 
Protons | Spin coupling | Nuclear magnetic resonance | Analysis
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 8/2010, Volume 126, Issue 5, pp. 371 - 382
The previously proposed pcJ-n basis sets, optimized for calculating indirect nuclear spin–spin coupling constants using density functional methods, are... 
Theoretical and Computational Chemistry | Chemistry | Spin–spin coupling constants | DFT | Physical Chemistry | Basis set contraction | Inorganic Chemistry | Organic Chemistry | Spin-spin coupling constants | CHEMISTRY, PHYSICAL | DEPENDENCE | 1ST | CONSISTENT BASIS-SETS | CONVERGENCE | ATOMS | ROW | DENSITY-FUNCTIONAL THEORY | GAUSSIAN-BASIS SETS | CLUSTER CALCULATIONS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 05/2008, Volume 4, Issue 5, pp. 719 - 727
The previously proposed polarization consistent basis sets, optimized for density functional calculations, are evaluated for calculating nuclear magnetic... 
Quantum Electronic Structure | ORBITAL METHODS | CORRELATED MOLECULAR CALCULATIONS | ELECTRIC PROPERTIES | CONSISTENT BASIS-SETS | NMR CHEMICAL-SHIFTS | SPIN COUPLING-CONSTANTS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ZETA-VALENCE QUALITY | GAUSSIAN-BASIS SETS | POLARIZED BASIS-SETS
Journal Article
Molecular Physics, ISSN 0026-8976, 03/2019, Volume 117, Issue 6, pp. 693 - 704
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 9/2018, Volume 2, Issue 35, pp. 2325 - 2333
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 35, pp. 23025 - 23033
By combining large basis and complete basis set (CBS) extrapolations of the coupled-cluster equilibrium geometry results with rovibrational and relativistic... 
Journal Article
Russian Chemical Reviews, ISSN 0036-021X, 2013, Volume 82, Issue 2, pp. 99 - 130
The modern quantum chemical methods for calculating spin - spin coupling constants in NMR spectra are reviewed. The theoretical basis of these methods and... 
Spin coupling | Quantum chemistry | Mathematical analysis | Vision | Constants | Spectra | Nuclear magnetic resonance
Journal Article
Magnetic Resonance in Chemistry, ISSN 0749-1581, 12/2018, Volume 56, Issue 12, pp. 1183 - 1187
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 12/2018, Volume 39, Issue 32, pp. 2647 - 2666
Journal Article
Progress in Nuclear Magnetic Resonance Spectroscopy, ISSN 0079-6565, 2013, Volume 73, pp. 17 - 55
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 11/2016, Volume 81, Issue 22, pp. 11496 - 11500
We compare the NMR indirect nuclear spin–spin coupling constants in strychnine calculated using density functional theory (DFT) with the semiempirical... 
TENSORS | ORGANIC-MOLECULES | HYDROCARBONS | H-1-NMR SPECTRA | CHEMISTRY, ORGANIC | COMPUTATIONS | PARAMETERS | DENSITY-FUNCTIONAL THEORY | Strychnine - chemistry | Magnetic Resonance Spectroscopy - methods | Spin Labels | Spin coupling | Usage | Analysis | Density functionals | Strychnine | Chemical properties | Nuclear magnetic resonance
Journal Article