Cover Picture.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. i, doi. 10.1002/mrc.5056
- Publication type:
- Article
Works matching IS 07491581 AND DT 2020 AND VI 58 AND IP 6
Results: 15
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Quantum chemical computation and machine learning in NMR.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 477, doi. 10.1002/mrc.5016
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- Publication type:
- Article
3
Enhancing computer‐assisted structure elucidation with DFT analysis of J‐couplings.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 594, doi. 10.1002/mrc.4996
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- Publication type:
- Article
4
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
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- Article
5
NMR signal processing, prediction, and structure verification with machine learning techniques.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 512, doi. 10.1002/mrc.4989
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- Publication type:
- Article
6
Solvent optimization and conformational flexibility effects on <sup>1</sup>H and <sup>13</sup>C NMR scaling factors.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 576, doi. 10.1002/mrc.4986
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- Publication type:
- Article
7
Elucidating heteroatom influence on homonuclear <sup>4</sup>J<sub>(H,H)</sub> coupling constants by DFT/NMR approach.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 566, doi. 10.1002/mrc.4983
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- Article
8
Synthesis and structural elucidation of a phthalide analog using NMR analysis and DFT calculations.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 559, doi. 10.1002/mrc.4976
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- Publication type:
- Article
9
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
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- Publication type:
- Article
10
Recent advances in computational <sup>31</sup>P NMR: Part 1. Chemical shifts.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 478, doi. 10.1002/mrc.4965
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- Article
11
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
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- Publication type:
- Article
12
Counterintuitive deshielding on the <sup>13</sup>C NMR chemical shift for the trifluoromethyl anion.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 540, doi. 10.1002/mrc.4958
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- Publication type:
- Article
13
The <sup>1</sup>H and <sup>13</sup>C NMR chemical shifts of Strychnos alkaloids revisited at the DFT level.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 532, doi. 10.1002/mrc.4948
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- Publication type:
- Article
14
The use of MM/QM calculations of <sup>13</sup>C and <sup>15</sup>N chemical shifts in the conformational analysis of alkyl substituted anilines.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 520, doi. 10.1002/mrc.4939
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- Publication type:
- Article
15
Issue Information.
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 473, doi. 10.1002/mrc.4913
- Publication type:
- Article