يعرض 1 - 20 نتائج من 5,410 نتيجة بحث عن '"CHEMICAL bond lengths"', وقت الاستعلام: 0.59s تنقيح النتائج
  1. 1
    Academic Journal
    Series expansion of a scalable Hermitian excitonic renormalization method.

    المؤلفون: Bauer, Marco1 (AUTHOR) marco.bauer@iwr.uni-heidelberg.de, Dreuw, Andreas1 (AUTHOR) dreuw@uni-heidelberg.de, Dutoi, Anthony D.2 (AUTHOR) adutoi@pacific.edu

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-17. 17p.

    مصطلحات موضوعية: *QUANTUM chemistry, *CHEMICAL bond lengths, *ELECTRONIC structure, *BERYLLIUM, *PROOF of concept


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  2. 2
    Academic Journal
    Observing vibronic coupling in a strongly hydrogen bonded system with coherent multidimensional vibrational–electronic spectroscopy.

    المؤلفون: Loe, Caroline M.1 (AUTHOR), Chatterjee, Srijan1 (AUTHOR), Weakly, Robert B.1 (AUTHOR), Khalil, Munira1 (AUTHOR) mkhalil@uw.edu

    المصدر: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-10. 10p.

    مصطلحات موضوعية: *VIBRONIC coupling, *CHEMICAL bond lengths, *ELECTRONIC excitation, *CHEMICAL reactions, *HYDROGEN bonding


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  3. 3
    Academic Journal
    Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations.

    المؤلفون: Keller, Elisabeth1,2 (AUTHOR), Morgenstein, Jack3 (AUTHOR), Reuter, Karsten1 (AUTHOR), Margraf, Johannes T.1,2 (AUTHOR) johannes.margraf@uni-bayreuth.de

    المصدر: Journal of Chemical Physics. 8/21/2024, Vol. 161 Issue 7, p1-10. 10p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *MOLECULAR dynamics, *DENSITY functional theory, *RARE earth metals, *CONDENSED matter


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  4. 4
    Academic Journal
    A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions.

    المؤلفون: Zhang, Chaoqun1 (AUTHOR) bbzhchq@gmail.com, Peterson, Kirk A.2 (AUTHOR), Dyall, Kenneth G.3 (AUTHOR), Cheng, Lan1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 8/7/2024, Vol. 161 Issue 5, p1-10. 10p.

    مصطلحات موضوعية: *ATOMIC orbitals, *CHEMICAL bond lengths, *SPINORS, *EQUILIBRIUM, *INTEGRALS


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  5. 5
    Academic Journal
    Novel barostat implementation for molecular dynamics.

    المؤلفون: Janek, Jiří1 (AUTHOR) janekj@vscht.cz, Kolafa, Jiří1 (AUTHOR) kolafaj@vscht.cz

    المصدر: Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-13. 13p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *MOLECULAR dynamics, *THERMOSTAT


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  6. 6
    Academic Journal
    A molecular dynamics study of the local structure evolution with temperature in Gd-doped CeO2: Focus on the bond length.

    المؤلفون: Vives, Serge, Ramel, David, Meunier, Cathy

    المصدر: Journal of Applied Physics; 12/28/2024, Vol. 136 Issue 24, p1-14, 14p

    مصطلحات موضوعية: RADIAL distribution function, OXYGEN vacancy, CHEMICAL bond lengths, MOLECULAR dynamics, POINT defects


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  7. 7
    Academic Journal
    Photodissociation of the CH2Cl radical: A high-level ab initio study.

    المؤلفون: Charfeddine, F., Yazidi, O., Zanchet, A., Bañares, L., García-Vela, A.

    المصدر: Journal of Chemical Physics; 12/21/2024, Vol. 161 Issue 23, p1-10, 10p

    مصطلحات موضوعية: OZONE layer depletion, ACTINIC flux, EXCITED states, CHEMICAL bond lengths, PHOTODISSOCIATION


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  8. 8
    Academic Journal
    Influence of fourth-order vibrational corrections on semi-experimental (reSE) structures of linear molecules.

    المؤلفون: Franke, Peter R.1 (AUTHOR), Stanton, John F.1 (AUTHOR) johnstanton@chem.ufl.edu

    المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-9. 9p.

    مصطلحات موضوعية: *AB-initio calculations, *CHEMICAL bond lengths, *MOLECULES, *PERTURBATION theory, *SMALL molecules


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  9. 9
    Academic Journal
    Bond length alternation of π-conjugated polymers predicted by the Fermi–Löwdin orbital self-interaction correction method.

    المؤلفون: Nguyen, Duyen B.1 (AUTHOR), Jackson, Koblar A.1 (AUTHOR), Peralta, Juan E.1 (AUTHOR) peral1j@cmich.edu

    المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-8. 8p.

    مصطلحات موضوعية: *CONJUGATED polymers, *CHEMICAL bond lengths, *ELECTRON configuration, *ELECTRON delocalization, *DENSITY functional theory, *NATURAL orbitals


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  10. 10
    Academic Journal
    Structure characteristics and microwave dielectric properties of ultra-low firing Li1.6(Mn1-xZnx)2.2(MoO4)3 ceramics.

    المؤلفون: Song, Jun1 (AUTHOR) songjunaa@163.com, Li, Meiying2 (AUTHOR), Chen, Guohua1,2 (AUTHOR) cgh1682002@163.com

    المصدر: Ceramics International. Feb2025, Vol. 51 Issue 4, p4712-4720. 9p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *DIELECTRIC properties, *RIETVELD refinement, *LATTICE constants, *CHEMICAL bonds


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  11. 11
    Academic Journal
    Fire Resistance Performance of the Bond-Type Anchorage System for CFRP Cables.

    المؤلفون: Li, Zerun1 (AUTHOR) zrunli@hnu.edu.cn, Jiang, Zhengwen2 (AUTHOR) jiangzw@hnu.edu.cn, Fang, Zhi3 (AUTHOR) fangzhi@hnu.edu.cn, Li, Quanhao4 (AUTHOR) 83692504@qq.com, Wang, Zhiwei5 (AUTHOR) 3754896@qq.com

    المصدر: Journal of Structural Engineering. Feb2025, Vol. 151 Issue 2, p1-16. 16p.

    مصطلحات موضوعية: *FIRE testing, *CHEMICAL bond lengths, *FAILURE mode & effects analysis, *HEATING load, *ANCHORAGE


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  12. 12
    Academic Journal
    A Systematic Study of the Structural Properties of Technical Lignins.

    المؤلفون: Tosin, Keiti Gilioli1 (AUTHOR) kgtosin@ucs.br, Finimundi, Noriê2 (AUTHOR) nfinimundi@ucs.br, Poletto, Matheus1 (AUTHOR) mpolett1@ucs.br

    المصدر: Polymers (20734360). Jan2025, Vol. 17 Issue 2, p214. 14p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *HYDROXYL group, *HYDROGEN bonding, *LIGNINS, *HYDROGEN as fuel, *LIGNIN structure, *LIGNANS

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  13. 13
    Academic Journal
    Directed Covalent Bond in Group 16 Dihydrides.

    المؤلفون: Atsumi, Michiko1 (AUTHOR) michiko.atsumi@kjemi.uio.no

    المصدر: International Journal of Quantum Chemistry. 1/5/2025, Vol. 125 Issue 1, p1-6. 6p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *BOND angles, *CHEMICAL bonds, *HEAVY elements, *COVALENT bonds


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  14. 14
    Academic Journal
    Crystal structure of di-µ-acetato-κ4O:O'-bis-{(acetato-κ²O,O')tetraaqua[1-(pyridin-2-ylmethylidene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN¹]-lanthanum(III)} dinitrate hemihydrate.

    المؤلفون: Ndiaye-Gueye, Mbossé1, Traoré, Bocar1, Thiam, Ibrahima Elhadji1 i6thiam@yahoo.fr, Diouf, Ousmane1, Wenger, Emmanuel2, Sall, Abdou Salam1, Lecomte, Claude2, Gaye, Mohamed1

    المصدر: Acta Crystallographica Section E: Crystallographic Communications. Jan2025, Vol. 81 Issue 1, p14-sup-9. 88p.

    مصطلحات موضوعية: *SCHIFF bases, *CHEMICAL bond lengths, *CRYSTAL structure, *LANTHANUM, *IONS, *ATOMS

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  15. 15
    Academic Journal
    A theoretical study of the bond-dissociation enthalpies (BDH), N–R bond lengths and proton affinities of N-substituted pyrroles, imidazoles and pyrazoles with R substituents along the periodic table.

    المؤلفون: Alkorta, Ibon1 (AUTHOR) ibon@iqm.csic.es, Elguero, José1 (AUTHOR) iqmbe17@iqm.csic.es

    المصدر: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jan2025, Vol. 144 Issue 1, p1-17. 17p.

    مصطلحات موضوعية: *PROTON affinity, *CHEMICAL bond lengths, *PYRROLES, *PYRAZOLES, *AZOLES, *NITROGEN


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  16. 16
    Academic Journal
    Uniaxial Strain Engineering of Anisotropic Phonon in Few‐Layer Violet Phosphorus with High Stretchability for Polarized Sensitive Flexible Photodetector.

    المؤلفون: Shang, Conghui1 (AUTHOR), Wang, Weiwei1 (AUTHOR), Zhang, Jianbin1 (AUTHOR), Zhao, Yi1 (AUTHOR), Li, Jiaxuan1 (AUTHOR), Chen, Liangqiang1 (AUTHOR), Jia, Guohui1 (AUTHOR), Zhou, Nan1 (AUTHOR), Liu, Ge1 (AUTHOR), Hui, Mantang1 (AUTHOR), Huang, Hongyang2 (AUTHOR), Zhang, Lihui3 (AUTHOR), Dong, Guangzhi1 (AUTHOR), Zhang, Jinying2 (AUTHOR), Xu, Hua4 (AUTHOR) xuhua-nano@snnu.edu.cn, Li, Xiaobo1 (AUTHOR) xbli@xidian.edu.cn, Yang, Rusen1 (AUTHOR) rsyang@xidian.edu.cn

    المصدر: Advanced Functional Materials. 12/23/2024, Vol. 34 Issue 52, p1-12. 12p.

    مصطلحات موضوعية: *DENSITY functional theory, *CHEMICAL bond lengths, *BOND angles, *CHARGE carrier mobility, *PHONONS, *PHOTOELECTRICITY


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  17. 17
    Academic Journal
    Is the protactinium(V) mono-oxo bond weaker than what we thought?

    المؤلفون: Shaaban, Tamara1 (AUTHOR), Oher, Hanna2 (AUTHOR), Aupiais, Jean3,4 (AUTHOR), Champion, Julie5 (AUTHOR), Gomes, André Severo Peirera1 (AUTHOR), Le Naour, Claire2 (AUTHOR), Maloubier, Melody2 (AUTHOR), Réal, Florent1 (AUTHOR), Renault, Eric6 (AUTHOR), Rocquefelte, Xavier7 (AUTHOR), Siberchicot, Bruno3,4 (AUTHOR), Vallet, Valérie1 (AUTHOR), Maurice, Rémi7 (AUTHOR) remi.maurice@univ-rennes.fr

    المصدر: Chemical Communications. 12/18/2024, Vol. 60 Issue 97, p14376-14379. 4p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *CHEMICAL bonds, *SOLID solutions, *MULTIPLICITY (Mathematics)


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  18. 18
    Academic Journal
    Grief from Afar: Parental bereavement for fallen “lone soldiers” in the Israel Defense Forces—an exploration of parents’ continuing bond with their deceased offspring who is buried in a different country.

    المؤلفون: Rosenhead, Jonathan1 (AUTHOR) jonathanrosenhead@hotmail.com, Mahat Shamir, Michal1 (AUTHOR)

    المصدر: Death Studies. Dec2024, p1-12. 12p.

    مصطلحات موضوعية: *CHEMICAL bond lengths, *MILITARY service, *BEREAVEMENT, *PARENTS, *DEAD


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  19. 19
    Academic Journal
    Variable stoichiometry and a salt–cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.

    المؤلفون: Kanagavel, Manimurugan1,2 (AUTHOR), Balasubramanian, Sridhar1,2 (AUTHOR) bsridhar@iict.res.in, Nechipadappu, Sunil Kumar1,2 (AUTHOR) nsunilkumar@iict.res.in

    المصدر: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Dec2024, Vol. 80 Issue 6, p793-806. 14p.

    مصطلحات موضوعية: *BOND angles, *CHEMICAL bond lengths, *HYDROGEN bonding, *FOURIER analysis, *HUMIDITY


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  20. 20
    Academic Journal
    Improving macromolecular structure refinement with metal‐coordination restraints.

    المؤلفون: Babai, Kaveh H.1 (AUTHOR), Long, Fei2 (AUTHOR), Malý, Martin3 (AUTHOR), Yamashita, Keitaro4 (AUTHOR) keitaro-yamashita@g.ecc.u-tokyo.ac.jp, Murshudov, Garib N.1,2 (AUTHOR) garib@mrc-lmb.cam.ac.uk

    المصدر: Acta Crystallographica: Section D, Structural Biology. Dec2024, Vol. 80 Issue 12, p821-833. 13p.

    مصطلحات موضوعية: *BOND angles, *CHEMICAL bond lengths, *LIBRARY cooperation, *DATABASES, *CRYSTALLOGRAPHY


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