Intramolecular Hydrogen Bonding 2021.
- Published in:
- Molecules, 2021, v. 26, n. 20, p. 6319, doi. 10.3390/molecules26206319
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- Article
Works matching DE "SPIN-spin coupling constants"
Results: 149
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Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling.
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- Molecules, 2021, v. 26, n. 16, p. 4967, doi. 10.3390/molecules26164967
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- Article
3
Perturbing the O–H ... O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene.
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- Molecules, 2021, v. 26, n. 11, p. 3086, doi. 10.3390/molecules26113086
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- Article
4
Computational NMR of Carbohydrates: Theoretical Background, Applications, and Perspectives.
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- Molecules, 2021, v. 26, n. 9, p. 2450, doi. 10.3390/molecules26092450
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- Article
5
Factors Governing the Chemical Stability and NMR Parameters of Uracil Tautomers and Its 5-Halogen Derivatives.
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- Molecules, 2020, v. 25, n. 17, p. 3931, doi. 10.3390/molecules25173931
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- Article
6
N...C and S...S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN.
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- Molecules, 2019, v. 24, n. 18, p. 3232, doi. 10.3390/molecules24183232
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- Article
7
NMR in the Structural Analysis of R(H)P–P(H)R Diphosphanes: Possibilities and Limitations.
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- Journal of Structural Chemistry, 2025, v. 66, n. 5, p. 939, doi. 10.1134/S0022476625050075
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8
Quantum Memory on <sup>13</sup>C–<sup>13</sup>C Dimers in Diamond with NV Centers: Simulation by Quantum Chemistry Methods.
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- Journal of Applied Spectroscopy, 2023, v. 90, n. 5, p. 1000, doi. 10.1007/s10812-023-01625-4
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- Article
9
Novel spintronic effects in two-dimensional van der Waals heterostructures.
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- NPJ 2D Materials & Applications, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41699-025-00546-4
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- Article
10
Novel spintronic effects in two-dimensional van der Waals heterostructures.
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- NPJ 2D Materials & Applications, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41699-025-00546-4
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- Article
11
Entanglement and coherence in pure and doped Posner molecules.
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- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-96487-5
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- Article
12
Entanglement and coherence in pure and doped Posner molecules.
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- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-96487-5
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- Article
13
Epitaxial Growth of Planar Hutwires on Silicon‐on‐Insulator Substrates.
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- Physica Status Solidi. A: Applications & Materials Science, 2022, v. 219, n. 17, p. 1, doi. 10.1002/pssa.202200145
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- Article
14
Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity.
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- Journal of Mathematical Chemistry, 2024, v. 62, n. 3, p. 591, doi. 10.1007/s10910-023-01552-x
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- Article
15
Introducing Pseudoramps and Mixed Ramp-Gaussian Jensen Basis Sets for Better Nuclear Densities.
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- Australian Journal of Chemistry, 2022, v. 75, n. 2, p. 126, doi. 10.1071/CH21092
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- Article
16
4-Fluoro-5-methylacridine: In Search of Long-Range "Lone-Pair Mediated" H-F and C-F Spin-Spin Coupling.
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- Organic Preparations & Procedures International, 2021, v. 53, n. 1, p. 100, doi. 10.1080/00304948.2020.1851123
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- Article
17
One‐Pot Two‐Step Synthesis of Isochromene‐Fused CF<sub>3</sub>‐Substituted Pyrazoles.
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- European Journal of Organic Chemistry, 2020, v. 2020, n. 34, p. 5616, doi. 10.1002/ejoc.202000942
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- Article
18
The Fluorine gauche Effect and a Comparison with Other Halogens in 2‐Halofluoroethanes and 2‐Haloethanols.
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- European Journal of Organic Chemistry, 2019, v. 2019, n. 37, p. 6401, doi. 10.1002/ejoc.201901234
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- Article
19
Substituted α‐Sulfur Methyl Carbanions: Effective Homologating Agents for the Chemoselective Preparation of β‐Oxo Thioethers from Weinreb Amides.
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- European Journal of Organic Chemistry, 2018, v. 2018, n. 20/21, p. 2466, doi. 10.1002/ejoc.201800095
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- Article
20
Routing a quantum state in a bio-inspired network.
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- Quantum Information Processing, 2023, v. 22, n. 7, p. 1, doi. 10.1007/s11128-023-03942-1
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21
Non-classical correlations in a Heisenberg spin model with Heitler–London approach.
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- Quantum Information Processing, 2022, v. 21, n. 7, p. 1, doi. 10.1007/s11128-022-03565-y
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- Article
22
Effect of the Quadrupole–Monopole Interaction on Chaos in Compact Binaries.
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- Annalen der Physik, 2019, v. 531, n. 12, p. N.PAG, doi. 10.1002/andp.201900136
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- Article
23
A chemical synthesis of a multiply <sup>13</sup>C-labeled hexasaccharide: a high-mannose N-glycan fragment.
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- Journal of Labelled Compounds & Radiopharmaceuticals, 2016, v. 59, n. 14, p. 673, doi. 10.1002/jlcr.3418
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- Article
24
Exploring Geometrical, Electronic and Spectroscopic Properties of 2-Nitroimidazole-Based Radiopharmaceuticals via Computational Chemistry Methods.
- Published in:
- Molecules, 2024, v. 29, n. 7, p. 1505, doi. 10.3390/molecules29071505
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- Article
25
Stereocontrolled Synthesis and Conformational Analysis of a Series of Disaccharides α,β-d-GlcA-(1→3)-α-L-Fuc.
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- Molecules, 2023, v. 28, n. 22, p. 7571, doi. 10.3390/molecules28227571
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- Article
26
Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH 4-n F n Series of Molecules as the Example.
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- Molecules, 2023, v. 28, n. 3, p. 1499, doi. 10.3390/molecules28031499
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- Article
27
New pecJ- n (n = 1, 2) Basis Sets for High-Quality Calculations of Indirect Nuclear Spin–Spin Coupling Constants Involving 31 P and 29 Si: The Advanced PEC Method.
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- Molecules, 2022, v. 27, n. 19, p. 6145, doi. 10.3390/molecules27196145
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- Article
28
2-Phosphonobutane-1,2,4,-Tricarboxylic Acid (PBTC): pH-Dependent Behavior Studied by Means of Multinuclear NMR Spectroscopy.
- Published in:
- Molecules, 2022, v. 27, n. 13, p. 4067, doi. 10.3390/molecules27134067
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- Article
29
Synthesis, Properties and Spatial Structure of 4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]cytisine.
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- Plants (2223-7747), 2023, v. 12, n. 1, p. 137, doi. 10.3390/plants12010137
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- Article
30
The spin-3/2 Blume–Capel model with two spins per site of the Bethe lattice.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2025, v. 39, n. 23, p. 1, doi. 10.1142/S0217979225502194
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31
1,2-Dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes.
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- Canadian Journal of Chemistry, 2021, v. 99, n. 12, p. 950, doi. 10.1139/cjc-2021-0072
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32
Optomechanics: Diamonds take off.
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- Nature Photonics, 2015, v. 9, n. 10, p. 633, doi. 10.1038/nphoton.2015.185
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- Article
33
Pseudospin-driven spin relaxation mechanism in graphene.
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- Nature Physics, 2014, v. 10, n. 11, p. 857, doi. 10.1038/nphys3083
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34
Nuclear magnetic resonance parameters in Zn2, Cd2 and Hg2 dimers: relativistic calculations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 3, p. 1, doi. 10.1007/s00214-021-02720-5
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- Article
35
How reliable are Minnesota density functionals for modeling phosphorus-hydrogen NMR spin-spin coupling constants?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 1, p. 1, doi. 10.1007/s00214-017-2182-z
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- Article
36
σ-σ and σ-π pnicogen bonds in complexes HXP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH, and H.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 4, p. 1, doi. 10.1007/s00214-014-1464-y
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- Article
37
Vibrational modulation of spin-spin coupling and its effect on the spin dynamics of geminate radical pairs.
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- Doklady Physical Chemistry, 2005, v. 401, n. 1-3, p. 32, doi. 10.1007/s10634-005-0019-2
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- Article
38
Nuclear Magnetic Resonance Gas-Phase Studies of Spin-Spin Couplings in Molecules.
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- Chemistry (2624-8549), 2025, v. 7, n. 1, p. 16, doi. 10.3390/chemistry7010016
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- Article
39
Study of ferroelectric phenomena and other related properties in NaKC4H4O6·4H2O crystal.
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- European Physical Journal D (EPJ D), 2021, v. 75, n. 7, p. 1, doi. 10.1140/epjd/s10053-021-00216-2
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- Article
40
MRI of [2‐<sup>13</sup>C]Lactate without J‐coupling artifacts.
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- Magnetic Resonance in Medicine, 2021, v. 85, n. 3, p. 1522, doi. 10.1002/mrm.28532
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- Article
41
Enhancement of Dynamical Coupling in Artificial Spin‐Ice Systems by Incorporating Perpendicularly Magnetized Ferromagnetic Matrix.
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- Small Structures, 2025, v. 6, n. 7, p. 1, doi. 10.1002/sstr.202400627
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- Article
42
Novel Asymmetric Thiazolyl-Substituted Penta-1,4-Dien-3-Ones and 3,5-Diaryl-2-Pyrazolines.
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- Polycyclic Aromatic Compounds, 2022, v. 42, n. 6, p. 3264, doi. 10.1080/10406638.2020.1858882
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43
Structure and Conformational Analysis of 5-Methyl-2,2-diphenyl-1,3-dioxane.
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- Russian Journal of Organic Chemistry, 2020, v. 56, n. 10, p. 1764, doi. 10.1134/S1070428020100152
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- Article
44
Application of chemical shifts in H and C NMR spectra to configuration assignment of Schiff bases in the liquid phase.
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- Russian Journal of Organic Chemistry, 2013, v. 49, n. 8, p. 1117, doi. 10.1134/S1070428013080046
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45
Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin.
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- Briefings in Bioinformatics, 2021, v. 22, n. 5, p. 1, doi. 10.1093/bib/bbab020
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46
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.
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- 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
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47
Random field Ising model in a uniform magnetic field: Ground states, pinned clusters and scaling laws.
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- European Physical Journal E -- Soft Matter, 2017, v. 40, n. 11, p. 1, doi. 10.1140/epje/i2017-11584-6
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48
Dynamics of a Magnetic Polaron in an Antiferromagnet.
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- Materials (1996-1944), 2024, v. 17, n. 2, p. 469, doi. 10.3390/ma17020469
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49
Synthesis and NMR spectra of [<sup>15</sup>N]indole.
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- Chemistry of Heterocyclic Compounds, 2023, v. 59, n. 9/10, p. 657, doi. 10.1007/s10593-023-03251-6
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50
Antiviral drug Triazavirin, selectively labeled with 2H, 13C, and 15N stable isotopes. Synthesis and properties.
- Published in:
- Chemistry of Heterocyclic Compounds, 2021, v. 57, n. 4, p. 479, doi. 10.1007/s10593-021-02927-1
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- Article