Works matching DE "SPIN-spin coupling constants"

Results: 144

NMR in the Structural Analysis of R(H)P–P(H)R Diphosphanes: Possibilities and Limitations.

Published in:

Journal of Structural Chemistry, 2025, v. 66, n. 5, p. 939, doi. 10.1134/S0022476625050075

By:

Kondrashova, S. A.;
Latypov, S. K.

Publication type:

Article

Magneto‐Structural Correlations in a Mixed Porphyrin(Cu2+)/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:

Abdullin, Dinar;
Hett, Tobias;
Fleck, Nico;
Kopp, Kevin;
Cassidy, Simon;
Richert, Sabine;
Schiemann, Olav

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:

Jaeschke, Sven Ole;
Lindhorst, Thisbe K.;
Auer, Alexander

Publication type:

Article

Spin‐Spin Coupling Controls the Gas‐Phase Reactivity of Aromatic σ‐Type Triradicals.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 1, p. 1, doi. 10.1002/chem.202102968

By:

Ding, Duanchen;
Feng, Erlu;
Kotha, Raghavendhar R.;
Chapman, Nathan C.;
Jiang, Hanning;
Nash, John J.;
Kenttämaa, Hilkka I.

Publication type:

Article

Solid‐State Nuclear Magnetic Resonance Techniques for the Structural Characterization of Geminal Alane‐Phosphane Frustrated Lewis Pairs and Secondary Adducts.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 52, p. 13249, doi. 10.1002/chem.202102113

By:

Wübker, Anna‐Lena;
Koppe, Jonas;
Bradtmüller, Henrik;
Keweloh, Lukas;
Pleschka, Damian;
Uhl, Werner;
Hansen, Michael Ryan;
Eckert, Hellmut

Publication type:

Article

Novel spintronic effects in two-dimensional van der Waals heterostructures.

Published in:

NPJ 2D Materials & Applications, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41699-025-00546-4

By:

Zhao, Zhiyuan;
Lin, Yijie;
Avsar, Ahmet

Publication type:

Article

Novel spintronic effects in two-dimensional van der Waals heterostructures.

Published in:

NPJ 2D Materials & Applications, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41699-025-00546-4

By:

Zhao, Zhiyuan;
Lin, Yijie;
Avsar, Ahmet

Publication type:

Article

Synthesis, Properties and Spatial Structure of 4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]cytisine.

Published in:

Plants (2223-7747), 2023, v. 12, n. 1, p. 137, doi. 10.3390/plants12010137

By:

Ibrayev, Marat K.;
Nurkenov, Oralgazy A.;
Rakhimberlinova, Zhanara B.;
Takibayeva, Altynaray T.;
Turdybekov, Dastan M.;
Seilkhanov, Tulegen M.;
Issabayeva, Meruyert B.;
Kelmyalene, Assel A.;
Kezdikbayeva, Assel T.;
Mendibayeva, Anel Z.

Publication type:

Article

Synthesis of carborane conjugates based on the maleimide derivative of 5,10,15,20-tetraphenylporphyrin.

Published in:

Doklady Chemistry, 2014, v. 458, n. 1, p. 165, doi. 10.1134/S0012500814090018

By:

Ol'shevskaya, V.;
Makarenkov, A.;
Korotkova, N.;
Kononova, E.;
Konovalova, N.;
Kalinin, V.

Publication type:

Article

Study of ferroelectric phenomena and other related properties in NaKC4H4O6·4H2O crystal.

Published in:

European Physical Journal D (EPJ D), 2021, v. 75, n. 7, p. 1, doi. 10.1140/epjd/s10053-021-00216-2

By:

Khan, Muzaffar Iqbal;
Upadhyay, Trilok Chandra

Publication type:

Article

Effect of Fat Composition on Allylic Proton Transverse Relaxation and J‐Coupling Evolution at 9.4 T.

Published in:

European Journal of Lipid Science & Technology, 2025, v. 127, n. 1, p. 1, doi. 10.1002/ejlt.202400081

By:

Bly, Nathaniel;
Carscadden, Adam;
Dehod, Alexander;
Tessier, Anthony G.;
Field, Catherine J.;
Yahya, Atiyah

Publication type:

Article

Energy evolution in many-particle quantum hydrodynamics of spinning plasmas.

Published in:

Modern Physics Letters B, 2016, v. 30, n. 4, p. -1, doi. 10.1142/S0217984916500238

By:

Trukhanova, Mariya Iv.

Publication type:

Article

Exotic orbits due to spin-spin coupling around Kerr black holes.

Published in:

International Journal of Modern Physics D: Gravitation, Astrophysics & Cosmology, 2018, v. 27, n. 1, p. -1, doi. 10.1142/S0218271817501796

By:

Han, Wen-Biao;
Yang, Shu-Cheng

Publication type:

Article

Substituted α‐Sulfur Methyl Carbanions: Effective Homologating Agents for the Chemoselective Preparation of β‐Oxo Thioethers from Weinreb Amides.

Published in:

European Journal of Organic Chemistry, 2018, v. 2018, n. 20/21, p. 2466, doi. 10.1002/ejoc.201800095

By:

Senatore, Raffaele;
Ielo, Laura;
Urban, Ernst;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Enhancing the Variability of [Ge9] Cluster Chemistry through Phosphine Functionalization.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 53, p. 12349, doi. 10.1002/chem.201901673

By:

Wallach, Christoph;
Geitner, Felix S.;
Klein, Wilhelm;
Fässler, Thomas F.

Publication type:

Article

Simulating Non‐linear Chemical and Physical (CAP) Dynamics of Signal Amplification By Reversible Exchange (SABRE).

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 32, p. 7659, doi. 10.1002/chem.201806133

By:

Pravdivtsev, Andrey N.;
Hövener, Jan‐Bernd

Publication type:

Article

Spin–Spin Coupling Between Two meta‐Benzyne Moieties In a Quinolinium Tetraradical Cation Increases Their Reactivities.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 17, p. 4472, doi. 10.1002/chem.201806096

By:

Kotha, Raghavendhar R.;
Yerabolu, Ravikiran;
Ding, Duanchen;
Szalwinski, Lucas;
Ma, Xin;
Wittrig, Ashley;
Kong, John;
Nash, John J.;
Kenttämaa, Hilkka I.

Publication type:

Article

Enantiopure Phospha[1]ferrocenophanes: Textbook Examples of Through‐Space Nuclear Spin–Spin Coupling.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 33, p. 8298, doi. 10.1002/chem.201801139

By:

Sadeh, Saeid;
Cao, My P. T.;
Quail, J. Wilson;
Zhu, Jianfeng;
Müller, Jens

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:

Mohamed, A.-B. A.;
Aljuaydi, F.;
Aldosari, F. M.;
Zidan, N.

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:

Mohamed, A.-B. A.;
Aldosari, F. M.;
Alsahli, A. M.;
Eleuch, H.

Publication type:

Article

A chemical synthesis of a multiply 13C-labeled hexasaccharide: a high-mannose N-glycan fragment.

Published in:

Journal of Labelled Compounds & Radiopharmaceuticals, 2016, v. 59, n. 14, p. 673, doi. 10.1002/jlcr.3418

By:

Zhang, Wenhui;
Pan, Qingfeng;
Serianni, Anthony S.

Publication type:

Article

Simulating the Hamiltonian of dimer atomic spin model of one-dimensional optical lattice on quantum computers.

Published in:

International Journal of Quantum Information, 2023, v. 21, n. 1, p. 1, doi. 10.1142/S0219749923500028

By:

Pradhan, Sudev;
Nayak, Amlandeep;
Satpathy, Sritam Kumar;
Behera, Tanmaya Shree;
Misra, Ankita;
Swain, Debashis;
Behera, Bikash K.

Publication type:

Article

Adiabatic quantum estimation: A numerical study of the Heisenberg XX model with antisymmetric exchange.

Published in:

International Journal of Quantum Information, 2021, v. 19, n. 7, p. 1, doi. 10.1142/S0219749920400018

By:

Shadehi, L. Fathi;
Jahromi, H. Rangani;
Ghanaatian, M.

Publication type:

Article

Random field Ising model in a uniform magnetic field: Ground states, pinned clusters and scaling laws.

Published in:

European Physical Journal E -- Soft Matter, 2017, v. 40, n. 11, p. 1, doi. 10.1140/epje/i2017-11584-6

By:

Kumar, Manoj;
Banerjee, Varsha;
Puri, Sanjay

Publication type:

Article

Protein Structure Validation and Refinement Using Amide Proton Chemical Shifts Derived from Quantum Mechanics.

Published in:

PLoS ONE, 2013, v. 8, n. 12, p. 1, doi. 10.1371/journal.pone.0084123

By:

Christensen, Anders S.;
Linnet, Troels E.;
Borg, Mikael;
Boomsma, Wouter;
Lindorff-Larsen, Kresten;
Hamelryck, Thomas;
Jensen, Jan H.

Publication type:

Article

Quantum Coherence and Spin Squeezing in Bose-Einstein Condensate with Josephson-Like Coupling.

Published in:

International Journal of Theoretical Physics, 2014, v. 53, n. 3, p. 1078, doi. 10.1007/s10773-013-1902-y

By:

Chen, Gang;
Rao, Song;
Liu, Li-Shu

Publication type:

Article

One‐Pot Two‐Step Synthesis of Isochromene‐Fused CF3‐Substituted Pyrazoles.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 34, p. 5616, doi. 10.1002/ejoc.202000942

By:

Nikolić, Andrea M.;
Živković, Filip;
Selaković, Života;
Wipf, Peter;
Opsenica, Igor M.

Publication type:

Article

The Fluorine gauche Effect and a Comparison with Other Halogens in 2‐Halofluoroethanes and 2‐Haloethanols.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 37, p. 6401, doi. 10.1002/ejoc.201901234

By:

Martins, Francisco A.;
Freitas, Matheus P.

Publication type:

Article

Inside Cover: Conformational Dependence of Through-Space Tellurium-Tellurium Spin-Spin Coupling in Peri-Substituted Bis(Tellurides) (Chem. Eur. J. 9/2015).

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 9, p. 3506, doi. 10.1002/chem.405696

By:

Knight, Fergus R.;
Diamond, Louise M.;
Arachchige, Kasun S. Athukorala;
Sanz Camacho, Paula;
Randall, Rebecca A. M.;
Ashbrook, Sharon E.;
Bühl, Michael;
Slawin, Alexandra M. Z.;
Woollins, J. Derek

Publication type:

Article

Conformational Dependence of Through-Space Tellurium-Tellurium Spin-Spin Coupling in Peri-Substituted Bis(Tellurides).

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 9, p. 3613, doi. 10.1002/chem.201405599

By:

Knight, Fergus R.;
Diamond, Louise M.;
Arachchige, Kasun S. Athukorala;
Sanz Camacho, Paula;
Randall, Rebecca A. M.;
Ashbrook, Sharon E.;
Bühl, Michael;
Slawin, Alexandra M. Z.;
Woollins, J. Derek

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:

Li, Dan;
Wu, Xin;
Liang, Enwei

Publication type:

Article

RPA(D) and HRPA(D): Calculating NMR Spin–Spin Coupling Constants in Free Amino Acid Residues.

Published in:

Magnetic Resonance in Chemistry, 2025, v. 63, n. 4, p. 328, doi. 10.1002/mrc.5514

By:

Møller, Christoffer H. S.;
Sauer, Stephan P. A.

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:

Mickolas, Lynsey J.;
Bowen, Andrew M.;
Hitchcock, Michael L.

Publication type:

Article

Choice of computational protocol for carbon‐lithium spin–spin coupling constants 1JCLi.

Published in:

Magnetic Resonance in Chemistry, 2022, v. 60, n. 10, p. 985, doi. 10.1002/mrc.5299

By:

Karpov, Valerii V.;
Antonov, Alexander S.;
Tupikina, Elena Yu.

Publication type:

Article

Computational 199Hg NMR.

Published in:

Magnetic Resonance in Chemistry, 2022, v. 60, n. 10, p. 929, doi. 10.1002/mrc.5296

By:

Rusakova, Irina L.;
Rusakov, Yuriy Yu.;
Krivdin, Leonid B.

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:

Ukhanev, Stepan A.;
Fedorov, Sergei V.;
Rusakov, Yuriy Y.;
Rusakova, Irina L.;
Krivdin, Leonid B.

Publication type:

Article

Computational 1H and 13C 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:

Steinmann, Casper;
Sauer, Stephan P. A.

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:

Rusakov, Yuriy Yu;
Rusakova, Irina L.

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:

Reviriego, Felipe;
Peña‐Cabrera, Eduardo;
Kokate, Siddhant V.;
Alkorta, Ibon;
Elguero, José

Publication type:

Article

Quantum chemical calculations of 77Se and 125Te 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:

Rusakova, Irina L.;
Rusakov, Yuriy Yu.

Publication type:

Article

NMR structural characterization from one‐bond 13C13C 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:

Sestile, Shannon;
Richardson, David;
Toomey, Ryan;
Cool, Laurence G.;
Harper, James K.

Publication type:

Article

Correlated ab initio calculations of one‐bond 31P77Se and 31P125Te spin–spin coupling constants in a series of PSe and PTe 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:

Rusakova, Irina L.;
Rusakov, Yuriy Yu

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:

Kupka, Teobald;
Broda, Małgorzata A.;
Wieczorek, Piotr P.

Publication type:

Article

Recent advances in computational 31P 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:

Krivdin, Leonid B.

Publication type:

Article

One‐bond 1J(15N─19F) 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:

Saielli, Giacomo

Publication type:

Article

Computational 1H NMR: Part 2. Chemical applications.

Published in:

Magnetic Resonance in Chemistry, 2020, v. 58, n. 1, p. 5, doi. 10.1002/mrc.4896

By:

Krivdin, Leonid B.

Publication type:

Article

Computational 1H NMR: Part 3. Biochemical studies.

Published in:

Magnetic Resonance in Chemistry, 2020, v. 58, n. 1, p. 15, doi. 10.1002/mrc.4895

By:

Krivdin, Leonid B.

Publication type:

Article

The complete 1H and 13C 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:

Janciene, Regina;
Mikulskiene, Gema

Publication type:

Article