يعرض 1 - 20 نتائج من 391,582 نتيجة بحث عن '"Molecular Structure"', وقت الاستعلام: 0.49s تنقيح النتائج
  1. 1
    Academic Journal
    The bonded interfacial layer structure of α-Al2O3 (0001)/water at different pH values studied by sum frequency vibrational spectroscopy.

    المؤلفون: Sun, Shumei1,2,3 (AUTHOR) sunshumei@bnu.edu.cn, Yao, Huanzhen1,2 (AUTHOR), Pan, Jiabao1,2 (AUTHOR), Xian, Zhenzhe1,2 (AUTHOR)

    المصدر: Journal of Chemical Physics. 12/7/2024, Vol. 161 Issue 21, p1-6. 6p.

    مصطلحات موضوعية: *CHEMICAL processes, *MOLECULAR structure, *SURFACE charges, *HYDROGEN bonding, *SURFACE charging


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  2. 2
    Academic Journal
    Solvation of molecules from the family of "domain of unknown function" 3494 and their ability to bind to ice.

    المؤلفون: Zielkiewicz, Jan1 (AUTHOR) jan.zielkiewicz@pg.edu.pl

    المصدر: Journal of Chemical Physics. 10/28/2024, Vol. 161 Issue 16, p1-11. 11p.

    مصطلحات موضوعية: *ANTIFREEZE proteins, *MOLECULAR structure, *MOLECULAR dynamics, *TERTIARY structure, *HYDROPHOBIC surfaces


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  3. 3
    Academic Journal
    Benchmarking luminescent properties of the arylvinylpyrimidine scaffold.

    المؤلفون: González-Alfaro, Sergio1,2 (AUTHOR), Fernández-Liencres, M. Paz3 (AUTHOR), Jiménez-Pulido, Sonia B.4 (AUTHOR), Illán-Cabeza, Nuria A.4 (AUTHOR), Sánchez-Ruiz, Antonio1,2 (AUTHOR), García-Martínez, Joaquín C.1,2 (AUTHOR) joaquinc.garcia@uclm.es, Navarro, Amparo3 (AUTHOR) anavarro@ujaen.es, Rodríguez-López, Julián5 (AUTHOR) julian.rodriguez@uclm.es

    المصدر: Journal of Chemical Physics. 10/28/2024, Vol. 161 Issue 16, p1-14. 14p.

    مصطلحات موضوعية: *ARYL group, *MOLECULAR structure, *X-ray diffraction, *PYRIMIDINES, *MOIETIES (Chemistry)


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  4. 4
    Academic Journal
    Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce(H2O)n3+ using statistical methods and quantum chemistry calculations.

    المؤلفون: Raposo-Hernández, Gema1 (AUTHOR), Pappalardo, Rafael R.1 (AUTHOR), Réal, Florent2 (AUTHOR), Vallet, Valérie2 (AUTHOR), Sánchez Marcos, Enrique1 (AUTHOR) sanchez@us.es

    المصدر: Journal of Chemical Physics. 10/14/2024, Vol. 161 Issue 14, p1-9. 9p.

    مصطلحات موضوعية: *MACHINE learning, *MOLECULAR structure, *ELECTRONIC spectra, *STATISTICAL learning, *WIGNER distribution


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  5. 5
    Academic Journal
    Numerical evidence for the existence of three different stable liquid water structures as indicated by local order parameter.

    المؤلفون: Takahashi, Kazuaki Z.1 (AUTHOR) kazu.takahashi@aist.go.jp

    المصدر: Journal of Chemical Physics. 10/7/2024, Vol. 161 Issue 13, p1-10. 10p.

    مصطلحات موضوعية: *MOLECULAR structure, *PHASE diagrams, *CRYSTAL structure, *HIGH temperatures, *WATER use


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  6. 6
    Academic Journal
    Effect of molecular structure on membrane diffusion: Triphenylmethanes across Escherichia coli studied by second harmonic light scattering.

    المؤلفون: Hu, Xiao-Hua1 (AUTHOR), Dai, Hai-Lung1 (AUTHOR) hldai@temple.edu

    المصدر: Journal of Chemical Physics. 9/28/2024, Vol. 161 Issue 12, p1-10. 10p.

    مصطلحات موضوعية: *ESCHERICHIA coli, *MOLECULAR structure, *MALACHITE green, *VAT dyes, *GENTIAN violet


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  7. 7
    Academic Journal
    Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure.

    المؤلفون: Leung, Helen O.1 (AUTHOR) hleung@amherst.edu, Marshall, Mark D.1 (AUTHOR) mdmarshall@amherst.edu

    المصدر: Journal of Chemical Physics. 9/14/2024, Vol. 161 Issue 10, p1-10. 10p.

    مصطلحات موضوعية: *MOLECULAR structure, *FOURIER transform spectroscopy, *HYDROGEN atom, *QUANTUM chemistry, *HYDROGEN chloride, *ISOTOPOLOGUES, *ELECTRON donors, *MICROWAVE spectroscopy


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  8. 8
    Dissertation/ Thesis
    Prior knowledge and verification in macromolecular crystallography

    المؤلفون: Jiménez Mellado, Elisabet

    المساهمون: University/Department: Universitat de Barcelona. Facultat de Farmàcia i Ciències de l'Alimentació

    Thesis Advisors: Usón Finkenzeller, Isabel, Baldomà Llavinés, Laura

    المصدر: TDX (Tesis Doctorals en Xarxa)

    مصطلحات موضوعية: Macromolècules, Macromoléculas, Macromolecules, Radiocristal·lografia, Radiocristalografía, X-ray crystallography, Estructura molecular, Molecular structure, Ciències Experimentals i Matemàtiques

    وصف الملف: application/pdf

    URL الوصول: http://hdl.handle.net/10803/692364

    View record in TDX

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  9. 9
    Academic Journal
    Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension.

    المؤلفون: Vo, Anh T. N.1,2,3 (AUTHOR) anh.vo@njit.edu, Murphy, Michael A.1 (AUTHOR) mam526@cavs.msstate.edu, Prabhu, Raj K.4 (AUTHOR) raj.prabhu@nasa.gov, Stone, Tonya W.1,5 (AUTHOR) tstone@me.msstate.edu

    المصدر: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-10. 10p.

    مصطلحات موضوعية: *MOLECULAR structure, *BIOLOGICAL membranes, *MOLECULAR dynamics, *MECHANICAL failures, *CELL membranes, *BILAYER lipid membranes


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  10. 10
    Academic Journal
    Forte: A suite of advanced multireference quantum chemistry methods.

    المؤلفون: Evangelista, Francesco A.1 (AUTHOR) francesco.evangelista@emory.edu, Li, Chenyang2 (AUTHOR), Verma, Prakash1 (AUTHOR), Hannon, Kevin P.1 (AUTHOR), Schriber, Jeffrey B.1,3 (AUTHOR), Zhang, Tianyuan1 (AUTHOR), Cai, Chenxi1 (AUTHOR), Wang, Shuhe1 (AUTHOR), He, Nan1 (AUTHOR), Stair, Nicholas H.1 (AUTHOR), Huang, Meng1 (AUTHOR), Huang, Renke1 (AUTHOR), Misiewicz, Jonathon P.1 (AUTHOR), Li, Shuhang1 (AUTHOR), Marin, Kevin1 (AUTHOR), Zhao, Zijun1 (AUTHOR), Burns, Lori A.4 (AUTHOR)

    المصدر: Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-19. 19p.

    مصطلحات موضوعية: *MOLECULAR structure, *MOLECULAR theory, *QUANTUM chemistry, *RAPID prototyping, *ELECTRONIC structure


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  11. 11
    Academic Journal
    The nonresonant sum-frequency generation response: The not-so-silent partner.

    المؤلفون: Patterson, James E.1 (AUTHOR) jepatterson@chem.byu.edu

    المصدر: Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-12. 12p.

    مصطلحات موضوعية: *MOLECULAR structure, *SURFACE structure, *INTERFACE structures, *INFORMATION storage & retrieval systems, *SIGNALS & signaling


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  12. 12
    Academic Journal
    Experimental molecular structures in the gas phase at the upper size limit: The case of Si6Tip6.

    المؤلفون: Vishnevskiy, Yury V.1 (AUTHOR) yury.vishnevskiy@uni-bielefeld.de, Heider, Yannic2 (AUTHOR), Scheschkewitz, David2 (AUTHOR)

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

    مصطلحات موضوعية: *ATOMS in molecules theory, *MOLECULAR structure, *NATURAL orbitals, *ELECTRON gas, *APPROXIMATION theory


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  13. 13
    Academic Journal
    Efficient approximate screening techniques for integrals over London atomic orbitals.

    المؤلفون: Blaschke, Simon1,2 (AUTHOR), Stopkowicz, Stella2,3 (AUTHOR), Pausch, Ansgar4 (AUTHOR) a.i.pausch@vu.nl

    المصدر: Journal of Chemical Physics. 7/14/2024, Vol. 161 Issue 2, p1-11. 11p.

    مصطلحات موضوعية: *MOLECULAR structure, *EXTREME environments, *INTEGRALS, *MAGNETIC fields, *ATOMIC orbitals

    مصطلحات جغرافية: LONDON (England)


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  14. 14
    Academic Journal
    Study of Preparation of Polyaluminum Ferric Sulfate Flocculant from Municipal Solid Waste Incineration Fly Ash.

    المؤلفون: Zhang, Tingyu1 (AUTHOR) 2423725850@qq.com, Wang, Botao2 (AUTHOR) wangbotao0309@163.com, Li, Jian1 (AUTHOR) 18323116022@163.com, Dong, Sihan3 (AUTHOR) 3291257024@qq.com, Liu, Tiancheng4 (AUTHOR) Liutiancheng76@163.com

    المصدر: Journal of Environmental Engineering. Dec2024, Vol. 150 Issue 12, p1-9. 9p.

    مصطلحات موضوعية: *ENVIRONMENTAL management, FLY ash, MOLECULAR structure, SOLID waste, FERROUS sulfate, INCINERATION, FLOCCULANTS


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  15. 15
    Academic Journal
    3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion.

    المؤلفون: Tian, Yanan1 (AUTHOR), Wang, Chenbin2 (AUTHOR), Lu, Ruiqiang1 (AUTHOR), Tong, Henry H.Y.1 (AUTHOR), Gong, Xiaoqing1 (AUTHOR), Qiu, Jiayue1 (AUTHOR), Peng, Shaoliang3 (AUTHOR), Yao, Xiaojun1 (AUTHOR), Liu, Huanxiang1 (AUTHOR) hxliu@mpu.edu.mo

    المصدر: Future Generation Computer Systems. Dec2024, Vol. 161, p189-200. 12p.

    مصطلحات موضوعية: *FORECASTING, MOLECULAR structure, MOLECULAR graphs, PREDICTION models, DRUG design, DEEP learning


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  16. 16
    Academic Journal
    Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties.

    المؤلفون: Mohamed, Amro M. O.1 (AUTHOR), Economou, Ioannis G.1 (AUTHOR) ioannis.economou@qatar.tamu.edu, Jeong, Hae-Kwon2,3 (AUTHOR)

    المصدر: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-12. 12p.

    مصطلحات موضوعية: *BIOLOGICAL interfaces, *MOLECULAR structure, *NANOPOROUS materials, *DISTRIBUTION isotherms (Chromatography), *BIOLOGICAL systems


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  17. 17
    Academic Journal
    PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations.

    المؤلفون: Ahad, S.1 (AUTHOR), Lin, C.1 (AUTHOR), Reppert, M.1 (AUTHOR) reppertm@purdue.edu

    المصدر: Journal of Chemical Physics. 4/21/2024, Vol. 160 Issue 15, p1-18. 18p.

    مصطلحات موضوعية: *MOLECULAR structure, *LIGHT absorption, *CIRCULAR dichroism, *CHEMICAL energy, *SPECTRAL lines, *CHLOROPHYLL spectra, *DIPOLE-dipole interactions


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  18. 18
    Academic Journal
    Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion.

    المؤلفون: Cheng, Austin H.1,2,3 (AUTHOR) austin@cs.toronto.edu, Lo, Alston2,3 (AUTHOR) alston.lo@mail.utoronto.ca, Miret, Santiago4 (AUTHOR), Pate, Brooks H.5 (AUTHOR), Aspuru-Guzik, Alán1,2,3 (AUTHOR)

    المصدر: Journal of Chemical Physics. 3/28/2024, Vol. 160 Issue 12, p1-20. 20p.

    مصطلحات موضوعية: *CHEMICAL formulas, *MOLECULAR structure, *MOMENTS of inertia, *SMALL molecules, *INTERSTELLAR medium, *MOMENTS method (Statistics)


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  19. 19
    Academic Journal
    Nanoscale self-assembly and water retention properties of silk fibroin–riboflavin hydrogel.

    المؤلفون: Kumari, Aarti, K P, Ganiya Shirin, Saharay, Moumita

    المصدر: Journal of Chemical Physics; 2025, Vol. 162 Issue 2, p1-17, 17p

    مصطلحات موضوعية: SILK fibroin, CHEMICAL structure, MOLECULAR structure, THERMAL conductivity, HYDROGELS, VITAMIN B2


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  20. 20
    Conference
    A review on turmeric, curcumin and our life.

    المؤلفون: Vaidya, Sunita1 (AUTHOR) sunitavaidya06@gmail.com, Mankar, Shrutika1 (AUTHOR) shrutikamankar123@gmail.com, Thatere, Ajat B.2 (AUTHOR) ajay.tahtere@yahoo.in

    المصدر: AIP Conference Proceedings. 2024, Vol. 3188 Issue 1, p1-6. 6p.

    مصطلحات موضوعية: *CURCUMIN, *MOLECULAR structure, *GINGER, *TRADITIONAL medicine, *SPICES, *TURMERIC


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