يعرض 1 - 20 نتائج من 802 نتيجة بحث عن '"Spin spin coupling constants"', وقت الاستعلام: 1.01s تنقيح النتائج
  1. 1
    Academic Journal
    Multiexcitonic and optically bright states in subunits of pentacene crystals: A hybrid DFT/MRCI and molecular mechanics study.

    المؤلفون: Schulz, Timo1 (AUTHOR) timo.schulz@hhu.de, Hédé, Simon1 (AUTHOR) simon.hede@hhu.de, Weingart, Oliver1 (AUTHOR) weingart@hhu.de, Marian, Christel M.1 (AUTHOR) christel.marian@hhu.de

    المصدر: Journal of Chemical Physics. 4/14/2024, Vol. 160 Issue 14, p1-18. 18p.

    مصطلحات موضوعية: *PENTACENE, *SPIN-spin coupling constants, *WEIGHT gain, *DIMERS, *DENSITY functional theory, *CRYSTALS


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  2. 2
    Academic Journal
    On the performance of HRPA(D) for NMR spin–spin coupling constants: Smaller molecules, aromatic and fluoroaromatic compounds.

    المؤلفون: Jessen, Louise Møller1 (AUTHOR), Sauer, Stephan P. A.1 (AUTHOR) sauer@chem.ku.dk

    المصدر: Journal of Chemical Physics. 2/14/2024, Vol. 160 Issue 6, p1-16. 16p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *SMALL molecules, *AROMATIC compounds, *NUCLEAR magnetic resonance, *SPIN-spin interactions, *REFERENCE values, *CHEMICAL shift (Nuclear magnetic resonance)


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  3. 3
    Academic Journal
    NMR spectroscopy of a 18O-labeled rhodium paddlewheel complex: Isotope shifts, 103Rh–103Rh spin–spin coupling, and 103Rh singlet NMR.

    المؤلفون: Harbor-Collins, Harry1 (AUTHOR), Sabba, Mohamed1 (AUTHOR), Bengs, Christian1 (AUTHOR), Moustafa, Gamal1 (AUTHOR), Leutzsch, Markus2 (AUTHOR), Levitt, Malcolm H.1 (AUTHOR) mhl@soton.ac.uk

    المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-11. 11p.

    مصطلحات موضوعية: *ISOTOPE shift, *SPIN-spin coupling constants, *RHODIUM, *GYROMAGNETIC ratio, *NUCLEAR magnetic resonance, *CHEMICAL shift (Nuclear magnetic resonance), *NUCLEAR magnetic resonance spectroscopy


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  4. 4
    Academic Journal
    15N-Labeled tetrazoloazines in investigation of the azido-tetrazole equilibrium.

    المؤلفون: Deev, S. L.1 (AUTHOR) deevsl@yandex.ru, Sheina, E. S.1 (AUTHOR), Shestakova, T. S.1 (AUTHOR), Charushin, V. N.1,2 (AUTHOR), Chupakhin, O. N.1,2 (AUTHOR)

    المصدر: Russian Chemical Bulletin. Nov2024, Vol. 73 Issue 11, p3113-3133. 21p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *CHEMICAL equilibrium, *ANALYTICAL chemistry, *ISOTOPE shift, *NUCLEAR magnetic resonance spectroscopy


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  5. 5
    Academic Journal
    Current density functional framework for spin–orbit coupling.

    المؤلفون: Holzer, Christof1 (AUTHOR) christof.holzer@kit.edu, Franzke, Yannick J.2 (AUTHOR) yannick.franzke@chemie.uni-marburg.de, Pausch, Ansgar3 (AUTHOR)

    المصدر: Journal of Chemical Physics. 11/28/2022, Vol. 157 Issue 20, p1-16. 16p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *ELECTRON paramagnetic resonance, *SPIN-orbit interactions, *NUCLEAR magnetic resonance spectroscopy, *NUCLEAR magnetic resonance, *HYPERFINE structure


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  6. 6
    Academic Journal
    Relativistic and QED corrections to one-bond indirect nuclear spin–spin couplings in X22+ and X32+ ions (X = Zn, Cd, Hg).

    المؤلفون: Colombo Jofré, Mariano T.1 (AUTHOR), Kozioł, Karol2 (AUTHOR), Aucar, I. Agustín1 (AUTHOR) gaaucar@conicet.gov.ar, Gaul, Konstantin3 (AUTHOR), Berger, Robert3 (AUTHOR), Aucar, Gustavo A.1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 8/14/2022, Vol. 157 Issue 6, p1-15. 15p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *ATOMIC orbitals, *QUANTUM electrodynamics, *MOLECULAR orbitals, *NUCLEAR charge, *MERCURY, *HEAVY metals


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  7. 7
    Academic Journal
    A local hybrid exchange functional approximation from first principles.

    المؤلفون: Holzer, Christof1 (AUTHOR) christof.holzer@kit.edu, Franzke, Yannick J.2 (AUTHOR) yannick.franzke@chemie.uni-marburg.de

    المصدر: Journal of Chemical Physics. 7/21/2022, Vol. 157 Issue 3, p1-12. 12p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *CHEMICAL shift (Nuclear magnetic resonance), *HYPERFINE coupling, *MATHEMATICAL forms, *COUPLING constants, *DENSITY matrices


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  8. 8
    Academic Journal
    Computational analyses of cooperativity between pnicogen and halogen bonds in H2FP:pyrimidine: ClF complex.

    المؤلفون: Bagheri, Sotoodeh1 (AUTHOR) S.Bagheri@vru.ac.ir, Vasfi, Mona1 (AUTHOR), Masoodi, Hamid Reza1 (AUTHOR)

    المصدر: Structural Chemistry. Apr2024, Vol. 35 Issue 2, p569-582. 14p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *NICKEL (Coin), *NATURAL orbitals, *HALOGENS, *NUCLEAR magnetic resonance, *ELECTRON density


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  9. 9
    Academic Journal
    Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity.

    المؤلفون: Morales-Bayuelo, Alejandro1 (AUTHOR) amorales@unisinucartagena.edu.co

    المصدر: Journal of Mathematical Chemistry. Mar2024, Vol. 62 Issue 3, p591-605. 15p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *MOLECULAR clusters, *QUANTUM potentials (Quantum mechanics), *SPIN-orbit interactions, *MOLECULAR physics, *SPIN-spin interactions


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  10. 10
    Academic Journal
    Currephila A, a New Chromanol Derivative from the Endophytic Fungus Curreya pityophila.

    المؤلفون: Fan Xu1, Xiao-Yan Pan1, Bai-Xiang Cai2, Yin-Zhong Fan1, Bao-Bao Shi1,3 shibb0505@163.com, Ji-Kai Liu1,3 liujikai@mail.scuec.edu.cn

    المصدر: Records of Natural Products. Mar/Apr2024, Vol. 18 Issue 2, p285-289. 5p.

    مصطلحات موضوعية: *ENDOPHYTIC fungi, *SPIN-spin coupling constants, *MOSAIC viruses, *BREAST, *CIRCULAR dichroism

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  11. 11
    Academic Journal
    Quantum quench and coherent–incoherent dynamics of Ising chains interacting with dissipative baths.

    المؤلفون: Dani, Reshmi1 (AUTHOR), Makri, Nancy1,2,3 (AUTHOR) nmakri@illinois.edu

    المصدر: Journal of Chemical Physics. 12/21/2021, Vol. 155 Issue 23, p1-13. 13p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *PATH integrals, *SPIN crossover, *QUANTUM theory, *SPIN-spin interactions, *LOW temperatures, *MARKOV spectrum


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  12. 12
    Academic Journal
    Synthesis and dark state EPR properties of PDI‐trityl dyads and triads.

    المؤلفون: Kopp, Kevin1 (AUTHOR), Westhofen, Lars1 (AUTHOR), Hett, Tobias1 (AUTHOR), Felix Schwering‐Sohnrey, Merlin1 (AUTHOR), Mayländer, Maximilian2 (AUTHOR), Richert, Sabine2 (AUTHOR), Schiemann, Olav1 (AUTHOR) schiemann@pc.uni-bonn.de

    المصدر: Chemistry - A European Journal. 2/26/2024, Vol. 30 Issue 12, p1-9. 9p.

    مصطلحات موضوعية: *QUANTUM information science, *SPIN-spin coupling constants, *CRYOGENICS, *DYADS, *RADICALS (Chemistry), *MAGNETIC properties, *SPIN-spin interactions


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  13. 13
    Academic Journal
    Stereochemistry of the cis-Tetrafluoro Complexes of Titanium with 1-Ac-2-[Ph2P(O)]-Cyclohexane (1RS,2SR) Stereoisomers in СН2Сl2.

    المؤلفون: Il'in, E. G.1 (AUTHOR) eg_ilin@mail.ru, Parshakov, A. S.1 (AUTHOR), Privalov, V. I.1 (AUTHOR), Churakov, A. V.1 (AUTHOR), Bodrin, G. V.2 (AUTHOR), Goryunov, E. I.2 (AUTHOR)

    المصدر: Russian Journal of Coordination Chemistry. Feb2024, Vol. 50 Issue 2, p137-144. 8p.

    مصطلحات موضوعية: *STEREOCHEMISTRY, *SPIN-spin coupling constants, *TITANIUM, *TRANSITION metal complexes, *NUCLEAR magnetic resonance spectroscopy, *RACEMIC mixtures


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  14. 14
    Academic Journal
    Dynamics of a Magnetic Polaron in an Antiferromagnet.

    المؤلفون: Shen, Kaijun1 (AUTHOR), Gelin, Maxim F.1,2 (AUTHOR), Sun, Kewei2 (AUTHOR), Zhao, Yang1 (AUTHOR) yzhao@ntu.edu.sg

    المصدر: Materials (1996-1944). Jan2024, Vol. 17 Issue 2, p469. 19p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *ANTIFERROMAGNETIC materials, *HOLE mobility, *DYNAMICS, *SUPERCONDUCTIVITY, *POLARONS

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  15. 15
    Academic Journal
    The pitfalls of using JHF spin–spin coupling constants to infer hydrogen bond formation in organofluorine compounds.

    المؤلفون: Cariello, Guilherme1 (AUTHOR), Zeoly, Lucas A.1 (AUTHOR), Piscelli, Bruno A.1 (AUTHOR), Lectka, Thomas2 (AUTHOR) lectka@jhu.edu, Cormanich, Rodrigo A.1 (AUTHOR) cormanich@unicamp.br

    المصدر: Chemical Communications. 12/25/2023, Vol. 59 Issue 99, p14661-14664. 4p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *ORGANOFLUORINE compounds, *HYDROGEN bonding, *SPIN-spin interactions


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  16. 16
    Academic Journal
    Multi-configurational short-range density functional theory can describe spin–spin coupling constants of transition metal complexes.

    المؤلفون: Kjellgren, Erik Rosendahl1 (AUTHOR), Jensen, Hans Jørgen Aagaard1 (AUTHOR) hjj@sdu.dk

    المصدر: Journal of Chemical Physics. 8/28/20221, Vol. 155 Issue 8, p1-13. 13p.

    مصطلحات موضوعية: *SPIN-spin coupling constants, *DENSITY functional theory, *TRANSITION metal complexes, *DENSITY functionals, *SPIN-spin interactions, *STATISTICAL errors


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  17. 17
    Academic Journal
    Extreme anomalous centrifugal distortion in methylene.

    المؤلفون: Coudert, Laurent H.1 (AUTHOR) laurent.coudert@u-psud.fr

    المصدر: Journal of Chemical Physics. 10/14/2020, Vol. 153 Issue 14, p1-8. 8p.

    مصطلحات موضوعية: *HYPERFINE coupling, *SPIN-spin coupling constants, *EXCITED states, *KINETIC energy, *STANDARD deviations, *SPIN-spin interactions


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  18. 18
    Academic Journal
    Spin characteristics in conjugated stable diradicals.

    المؤلفون: Dai, Dacheng, Zhan, Qian, Shi, Tianfang, Wang, Dongsheng, Zheng, Yonghao

    المصدر: Chemical Communications; 9/4/2024, Vol. 60 Issue 68, p8997-9006, 10p

    مصطلحات موضوعية: BIRADICALS, SPIN-spin interactions, SPIN-spin coupling constants, CHEMICAL properties, RADICALS (Chemistry)


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  19. 19
    Academic Journal
    Stereocontrolled Synthesis and Conformational Analysis of a Series of Disaccharides α,β-d-GlcA-(1→3)-α-L-Fuc.

    المؤلفون: Gerbst, Alexey G.1 (AUTHOR) alger@ioc.ac.ru, Vinnitsky, Dmitry Z.1 (AUTHOR) dmt@ioc.ac.ru, Tokatly, Alexandra I.1 (AUTHOR) nen@ioc.ac.ru, Dmitrenok, Andrey S.1 (AUTHOR), Krylov, Vadim B.2 (AUTHOR) alger@ioc.ac.ru, Ustuzhanina, Nadezhda E.1 (AUTHOR), Nifantiev, Nikolay E.1 (AUTHOR)

    المصدر: Molecules. Nov2023, Vol. 28 Issue 22, p7571. 18p.

    مصطلحات موضوعية: *DISACCHARIDES, *SPIN-spin coupling constants, *QUANTUM chemistry, *CONFORMATIONAL analysis, *SULFATION, *CHONDROITIN sulfates

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  20. 20
    Academic Journal
    Synthesis and anti-inflammatory activity of N-arylamides of 4-aryl- and 4-(thiophen-2-yl)-2-[2-(furan-2-carbonyl)hydrazono]-4-oxobutanoic acids.

    المؤلفون: Igidov, S. N.1,2 (AUTHOR), Turyshev, A. Yu.1 (AUTHOR), Chashchina, S. V.1,3 (AUTHOR), Shipilovskikh, D. A.4 (AUTHOR), Chernov, I. N.5 (AUTHOR), Zvereva, O. V.1 (AUTHOR), Silaichev, P. S.3 (AUTHOR), Igidov, N. M.1 (AUTHOR), Shipilovskikh, S. A.3,6 (AUTHOR) s.shipilovskikh@metalab.ifmo.ru

    المصدر: Russian Chemical Bulletin. Sep2023, Vol. 72 Issue 9, p2241-2248. 8p.

    مصطلحات موضوعية: *ANTI-inflammatory agents, *SPIN-spin coupling constants, *ACID derivatives


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