Works matching DE "SPIN-spin coupling constants"
Results: 135
Nuclear Magnetic Resonance Gas-Phase Studies of Spin-Spin Couplings in Molecules.
- Published in:
- Chemistry (2624-8549), 2025, v. 7, n. 1, p. 16, doi. 10.3390/chemistry7010016
- By:
- Publication type:
- Article
Synthesis and dark state EPR properties of PDI‐trityl dyads and triads.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 12, p. 1, doi. 10.1002/chem.202303635
- By:
- Publication type:
- Article
Magneto‐Structural Correlations in a Mixed Porphyrin(Cu<sup>2+</sup>)/Trityl Spin System: Magnitude, Sign, and Distribution of the Exchange Coupling Constant.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 14, p. 1, doi. 10.1002/chem.202203148
- By:
- Publication type:
- Article
Between Two Chairs: Combination of Theory and Experiment for the Determination of the Conformational Dynamics of Xylosides.
- Published in:
- Chemistry - A European Journal, 2022, v. 28, n. 56, p. 1, doi. 10.1002/chem.202201544
- By:
- Publication type:
- Article
Rational Design of an Air‐Stable, High‐Spin Diradical with Diazapyrene.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 49, p. 1, doi. 10.1002/ange.202314900
- By:
- Publication type:
- Article
Determination of the Spin-Spin Coupling Constant in Hydrogen Deuteride HD and Estimates of the Manifestation of Axion-Like Particles.
- Published in:
- Journal of Experimental & Theoretical Physics, 2018, v. 126, n. 3, p. 321, doi. 10.1134/S1063776118020024
- By:
- Publication type:
- Article
Simulation of NMR Hyperfine Structure Constant for AB<sub>2</sub>, A<sub>2</sub>B<sub>2</sub> and A<sub>2</sub>B<sub>3</sub> Systems.
- Published in:
- Journal of the Institute of Science & Technology / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2021, v. 11, n. 1, p. 200, doi. 10.21597/jist.810809
- By:
- Publication type:
- Article
Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters.
- Published in:
- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 6, p. 1, doi. 10.1140/epjb/e2018-90118-5
- By:
- Publication type:
- Article
Phase diagram and exotic spin-spin correlations of anisotropic Ising model on the Sierpiński gasket.
- Published in:
- European Physical Journal B: Condensed Matter, 2016, v. 89, n. 2, p. 1, doi. 10.1140/epjb/e2015-60745-5
- By:
- Publication type:
- Article
Characterization of Quantum and Classical Critical Points for an Integrable Two-Qubit Spin–Boson Model.
- Published in:
- Symmetry (20738994), 2023, v. 15, n. 12, p. 2174, doi. 10.3390/sym15122174
- By:
- Publication type:
- Article
A Comparison between Second-Order Post-Newtonian Hamiltonian and Coherent Post-Newtonian Lagrangian in Spinning Compact Binaries.
- Published in:
- Symmetry (20738994), 2021, v. 13, n. 4, p. 584, doi. 10.3390/sym13040584
- By:
- Publication type:
- Article
Quantitative structure parameters from the NMR spectroscopy of quadrupolar nuclei.
- Published in:
- Pure & Applied Chemistry, 2016, v. 88, n. 1/2, p. 95, doi. 10.1515/pac-2015-0801
- By:
- Publication type:
- Article
Nuclear magnetic resonance parameters in Zn2, Cd2 and Hg2 dimers: relativistic calculations.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 3, p. 1, doi. 10.1007/s00214-021-02720-5
- By:
- Publication type:
- Article
How reliable are Minnesota density functionals for modeling phosphorus-hydrogen NMR spin-spin coupling constants?
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 1, p. 1, doi. 10.1007/s00214-017-2182-z
- By:
- Publication type:
- Article
σ-σ and σ-π pnicogen bonds in complexes HXP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH, and H.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 4, p. 1, doi. 10.1007/s00214-014-1464-y
- By:
- Publication type:
- Article
Currephila A, a New Chromanol Derivative from the Endophytic Fungus Curreya pityophila.
- Published in:
- Records of Natural Products, 2024, v. 18, n. 2, p. 285, doi. 10.25135/rnp.443.2312.2999
- By:
- Publication type:
- Article
Spin–Spin and Spin–Phonon Interaction as a Nature of Microwave Absorption in He II.
- Published in:
- Journal of Low Temperature Physics, 2019, v. 196, n. 1/2, p. 21, doi. 10.1007/s10909-019-02173-y
- By:
- Publication type:
- Article
Vitrification of Liquid Inclusions in hcp He-He Crystal: the Role of an Intermediate bcc Phase.
- Published in:
- Journal of Low Temperature Physics, 2014, v. 175, n. 1/2, p. 154, doi. 10.1007/s10909-013-0941-3
- By:
- Publication type:
- Article
Effect of the Quadrupole–Monopole Interaction on Chaos in Compact Binaries.
- Published in:
- Annalen der Physik, 2019, v. 531, n. 12, p. N.PAG, doi. 10.1002/andp.201900136
- By:
- Publication type:
- Article
Dynamics of two-qubit Heisenberg XY state: external magnetic field and intrinsic decoherence effects.
- Published in:
- Optical & Quantum Electronics, 2023, v. 55, n. 12, p. 1, doi. 10.1007/s11082-023-05287-6
- By:
- Publication type:
- Article
Dynamics of two-qubit quantum nonlocality in a Heisenberg chain model with the intrinsic decoherence.
- Published in:
- Optical & Quantum Electronics, 2023, v. 55, n. 3, p. 1, doi. 10.1007/s11082-023-04543-z
- By:
- Publication type:
- Article
Forensic applications of high‐resolution NMR spectroscopy in the identification of novel psychoactive substances and the quantitation of methamphetamine.
- Published in:
- Magnetic Resonance in Chemistry, 2023, v. 61, n. 2, p. 83, doi. 10.1002/mrc.5233
- By:
- Publication type:
- Article
Choice of computational protocol for carbon‐lithium spin–spin coupling constants <sup>1</sup>J<sub>CLi</sub>.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 10, p. 985, doi. 10.1002/mrc.5299
- By:
- Publication type:
- Article
Computational <sup>199</sup>Hg NMR.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 10, p. 929, doi. 10.1002/mrc.5296
- By:
- Publication type:
- Article
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 9, p. 901, doi. 10.1002/mrc.5276
- By:
- Publication type:
- Article
Computational <sup>1</sup>H and <sup>13</sup>C NMR in structural and stereochemical studies.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 8, p. 733, doi. 10.1002/mrc.5260
- Publication type:
- Article
Computational NMR of charged systems.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 1, p. 8, doi. 10.1002/mrc.5201
- Publication type:
- Article
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 11, p. 1134, doi. 10.1002/mrc.5166
- By:
- Publication type:
- Article
Efficient J‐oriented tin basis sets for the correlated calculations of indirect nuclear spin–spin coupling constants.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 7, p. 713, doi. 10.1002/mrc.5132
- By:
- Publication type:
- Article
A static and dynamic NMR study of 10‐hydrazino‐BODIPY.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 4, p. 454, doi. 10.1002/mrc.5118
- By:
- Publication type:
- Article
Quantum chemical calculations of <sup>77</sup>Se and <sup>125</sup>Te nuclear magnetic resonance spectral parameters and their structural applications.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 4, p. 359, doi. 10.1002/mrc.5111
- By:
- Publication type:
- Article
NMR structural characterization from one‐bond <sup>13</sup>C<sup>13</sup>C couplings: Complete assignment of a hydrogen‐poor depsidone.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 1, p. 23, doi. 10.1002/mrc.5077
- By:
- Publication type:
- Article
Correlated ab initio calculations of one‐bond <sup>31</sup>P<sup>77</sup>Se and <sup>31</sup>P<sup>125</sup>Te spin–spin coupling constants in a series of PSe and PTe systems accounting for relativistic effects (part 2)
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 10, p. 929, doi. 10.1002/mrc.5058
- By:
- Publication type:
- Article
Recent advances in computational <sup>31</sup>P NMR: Part 2. Spin–spin coupling constants.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 500, doi. 10.1002/mrc.4973
- By:
- Publication type:
- Article
What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 584, doi. 10.1002/mrc.4990
- By:
- Publication type:
- Article
One‐bond <sup>1</sup>J(<sup>15</sup>N─<sup>19</sup>F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 548, doi. 10.1002/mrc.4962
- By:
- Publication type:
- Article
Computational <sup>1</sup>H NMR: Part 2. Chemical applications.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 1, p. 5, doi. 10.1002/mrc.4896
- By:
- Publication type:
- Article
Computational <sup>1</sup>H NMR: Part 3. Biochemical studies.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 1, p. 15, doi. 10.1002/mrc.4895
- By:
- Publication type:
- Article
The complete <sup>1</sup>H and <sup>13</sup>C NMR spectra assignments of N‐(2‐nitrobenzoyl)‐1,5‐benzodiazepin‐2‐one and dihydroquinazolino[3,2‐α]benzodiazepine derivatives.
- Published in:
- Magnetic Resonance in Chemistry, 2019, v. 57, n. 11, p. 968, doi. 10.1002/mrc.4924
- By:
- Publication type:
- Article
Computational <sup>1</sup>H NMR: Part 1. Theoretical background.
- Published in:
- Magnetic Resonance in Chemistry, 2019, v. 57, n. 11, p. 897, doi. 10.1002/mrc.4873
- By:
- Publication type:
- Article
Assignment of <sup>1</sup>H and <sup>13</sup>C NMR data for three pairs of diastereomers of 4′‐X benzo[1,3]cyclopropa[1,2‐b]chromene‐4,5‐diones (X = H, OCH<sub>3</sub>, and Cl).
- Published in:
- Magnetic Resonance in Chemistry, 2019, v. 57, n. 8, p. 512, doi. 10.1002/mrc.4892
- By:
- Publication type:
- Article
Magnetic resonance studies of copper (II) sorbitol complex, in solution, reveal a supramolecular structure compatible to the crystal structure.
- Published in:
- Magnetic Resonance in Chemistry, 2019, v. 57, n. 7, p. 404, doi. 10.1002/mrc.4863
- By:
- Publication type:
- Article
Influence of stereoelectronic effects on the <sup>1</sup>J<sub>C─F</sub> spin–spin coupling constant in fluorinated heterocyclic compounds.
- Published in:
- Magnetic Resonance in Chemistry, 2019, v. 57, n. 7, p. 373, doi. 10.1002/mrc.4854
- By:
- Publication type:
- Article
Probing long-range spin-spin coupling constants in 2-halo- substituted cyclohexanones and cyclohexanethiones: The role of solvent and stereoelectronic effects.
- Published in:
- Magnetic Resonance in Chemistry, 2018, v. 56, n. 9, p. 810, doi. 10.1002/mrc.4739
- By:
- Publication type:
- Article
Polynomial coefficients. Application to spin-spin splitting by N equivalent nuclei of spin I > 1/2.
- Published in:
- Magnetic Resonance in Chemistry, 2018, v. 56, n. 9, p. 799, doi. 10.1002/mrc.4745
- By:
- Publication type:
- Article
Polynomial coefficients. Application to spin-spin splitting by N equivalent nuclei of spin I > 1/2.
- Published in:
- Magnetic Resonance in Chemistry, 2018, v. 56, n. 9, p. 798, doi. 10.1002/mrc.4785
- By:
- Publication type:
- Article
Issue information - TOC.
- Published in:
- Magnetic Resonance in Chemistry, 2016, v. 54, n. 1, p. 1, doi. 10.1002/mrc.4334
- Publication type:
- Article
Indirect relativistic bridge and substituent effects from the 'heavy' environment on the one-bond and two-bond <sup>13</sup>C<sup>1</sup>H spin-spin coupling constants.
- Published in:
- Magnetic Resonance in Chemistry, 2016, v. 54, n. 1, p. 39, doi. 10.1002/mrc.4313
- By:
- Publication type:
- Article
Stereochemical behavior of geminal and vicinal <sup>77</sup>Se-<sup>13</sup>C spin-spin coupling constants studied at the SOPPA(CC2) level taking into account relativistic corrections.
- Published in:
- Magnetic Resonance in Chemistry, 2015, v. 53, n. 2, p. 93, doi. 10.1002/mrc.4139
- By:
- Publication type:
- Article
Investigation of the resonance-assisted hydrogen bond in model β-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H · · · O hydrogen bond.
- Published in:
- Magnetic Resonance in Chemistry, 2015, v. 53, n. 2, p. 120, doi. 10.1002/mrc.4152
- By:
- Publication type:
- Article