المؤلفون: Ian R. Butler, Daniel M. Evans, Peter N. Horton, Simon J. Coles, Stewart F. Parker, Silvia C. Capelli

المصدر: IUCrJ, Vol 9, Iss 3, Pp 364-369 (2022)

مصطلحات موضوعية: self-assembly, neutron diffraction, water pipes, biomimetic artificial water channels, tmp, crystal generation, x-ray diffraction, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252522003396; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/ad2a7fc5df2d4a5f85c36e6ac8ea41e7

المؤلفون: Phillip Miguel Kofoed, Anna A. Hoser, Frederik Diness, Silvia C. Capelli, Anders Østergaard Madsen

المصدر: IUCrJ, Vol 6, Iss 4, Pp 558-571 (2019)

مصطلحات موضوعية: conformational polymorphs, vibrational contributions to free energy, lattice dynamical models, ADPs refinement, DFT calculations, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252519003014; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/fcc901f172ff4d0e94ffb45b9b645264

المؤلفون: Francesco Capitelli, Ferdinando Bosi, Silvia C. Capelli, Francesco Radica, Giancarlo Della Ventura

المصدر: Crystals, Vol 11, Iss 3, p 225 (2021)

مصطلحات موضوعية: whitlockite, calcium phosphates, WDS, NDP, XRD, FTIR, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2073-4352/11/3/225; https://doaj.org/toc/2073-4352

URL الوصول: https://doaj.org/article/64958aca74244c9985c939352f91f53b

المؤلفون: Silvia C. Capelli, Hans-Beat Bürgi, Birger Dittrich, Simon Grabowsky, Dylan Jayatilaka

المصدر: IUCrJ, Vol 1, Iss 5, Pp 361-379 (2014)

مصطلحات موضوعية: aspherical atom partitioning, quantum mechanical molecular electron densities, X-ray structure refinement, hydrogen atom modelling, anisotropic displacement parameters, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252514014845; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/b43dab385fac490c9f1d89b028401ca9

المؤلفون: G. Diego Gatta, Giorgio Guastella, Silvia C. Capelli, Davide Comboni, Alessandro Guastoni

المصدر: Physics and Chemistry of Minerals. 49

مصطلحات موضوعية: Hydrogen bonding, Geochemistry and Petrology, Borates, General Materials Science, Settore GEO/09 - Georisorse Miner.Appl.Mineral.-Petrogr.per l'amb.e i Beni Cul, Meyerhofferite, Single-crystal neutron diffraction, Crystal chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cef1c542f99494d2e8458625c7c845ba
https://doi.org/10.1007/s00269-022-01199-1

المؤلفون: Silvia C. Capelli, Craig L. Bull, Nicholas P. Funnell, Christopher J. Ridley

المصدر: CrystEngComm. 21:4473-4483

مصطلحات موضوعية: Diffraction, Bulk modulus, Lattice energy, Materials science, Intermolecular force, Thermodynamics, 02 engineering and technology, General Chemistry, Crystal structure, Atmospheric temperature range, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Kinetic energy, 01 natural sciences, 0104 chemical sciences, General Materials Science, Neutron, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::46b5015ea6b388a6295e8221f945d7ff
https://doi.org/10.1039/c8ce01946k

المؤلفون: Stephanie Cancelli, Carla Andreani, Andrea Muraro, Giuseppe Gorini, Pierfrancesco Ulpiani, Gabriele Croci, Marco Tardocchi, Dalila Onorati, E. Perelli-Cippo, Jose Ignacio Marquez Damian, Giovanni Romanelli, Roberto Senesi, Silvia C. Capelli

المساهمون: Romanelli, G, Onorati, D, Ulpiani, P, Cancelli, S, Perelli-Cippo, E, Marquez Damian, J, Capelli, S, Croci, G, Muraro, A, Tardocchi, M, Gorini, G, Andreani, C, Senesi, R

المصدر: Journal of physics. Condensed matter
33 (2021): 285901-1–285901-12. doi:10.1088/1361-648X/abfc13
info:cnr-pdr/source/autori:Romanelli G.; Onorati D.; Ulpiani P.; Cancelli S.; Perelli-Cippo E.; Marquez Damian J.I.; Capelli S.C.; Croci G.; Muraro A.; Tardocchi M.; Gorini G.; Andreani C.; Senesi R./titolo:Thermal neutron cross sections of amino acids from average contributions of functional groups/doi:10.1088%2F1361-648X%2Fabfc13/rivista:Journal of physics. Condensed matter (Print)/anno:2021/pagina_da:285901-1/pagina_a:285901-12/intervallo_pagine:285901-1–285901-12/volume:33

مصطلحات موضوعية: inorganic chemicals, Hydrogen, Astrophysics::High Energy Astrophysical Phenomena, FOS: Physical sciences, chemistry.chemical_element, 02 engineering and technology, Neutron scattering, 01 natural sciences, Molecular physics, Physics - Chemical Physics, 0103 physical sciences, Proton Therapy, Neutron cross section, Humans, General Materials Science, Neutron, 010306 general physics, Boron, Neutrons, Chemical Physics (physics.chem-ph), Physics, amino acids, Range (particle radiation), phonon calculation, neutron scattering, Settore FIS/07, technology, industry, and agriculture, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Neutron temperature, neutron cross section, Neutron capture, chemistry, boron neutron capture therapy, 0210 nano-technology, amino acid

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b509f898deda33fdda0db22457d13fd
https://doi.org/10.1088/1361-648x/abfc13

المؤلفون: Giovanni Romanelli, Silvia C. Capelli

مصطلحات موضوعية: polyethylene, wavelength-dependent corrections, Materials science, Hydrogen, chemistry.chemical_element, 02 engineering and technology, urea, Neutron scattering, 01 natural sciences, Molecular physics, General Biochemistry, Genetics and Molecular Biology, 010309 optics, Cross section (physics), 0103 physical sciences, Neutron cross section, Neutron, neutron transmission spectroscopy, beta-alanine, Scattering, Settore FIS/07, 021001 nanoscience & nanotechnology, hydrogen cross section, time of flight, tartaric acid, Time of flight, Wavelength, chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99430d84ecd115a55e9f163e39ae9d56
https://hdl.handle.net/2108/315123

المؤلفون: Anna A. Hoser, Frederik Diness, Phillip Miguel Kofoed, Anders Ø. Madsen, Silvia C. Capelli

المصدر: IUCrJ
Kofoed, P M, Hoser, A A, Diness, F, Capelli, S C & Madsen, A Ø 2019, ' X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems ', IUCrJ, vol. 6, no. 4, pp. 558-571 . https://doi.org/10.1107/S2052252519003014
IUCrJ, Vol 6, Iss 4, Pp 558-571 (2019)

مصطلحات موضوعية: Diffraction, Enthalpy, Ab initio, Thermodynamics, ADPs refinement, 010402 general chemistry, 010403 inorganic & nuclear chemistry, DFT calculations, 01 natural sciences, Biochemistry, conformational polymorphs, Normal mode, General Materials Science, lcsh:Science, Anisotropy, Physics, vibrational contributions to free energy, Anharmonicity, General Chemistry, Condensed Matter Physics, Quantitative Biology::Genomics, Research Papers, 0104 chemical sciences, lattice dynamical models, X-ray crystallography, Supercell (crystal), lcsh:Q

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ee09c5d37b4514cd0a4bf1ce82d6e46
https://pubmed.ncbi.nlm.nih.gov/31316801

المؤلفون: Lynne H. Thomas, Martin Adam, Silvia C. Capelli, Chick C. Wilson, Louis J. Farrugia, Ioana Sovago

المصدر: CrystEngComm. 18:5697-5709

مصطلحات موضوعية: chemistry.chemical_classification, Lattice energy, Proton, Hydrogen bond, Neutron diffraction, Salt (chemistry), General Chemistry, 010402 general chemistry, 010403 inorganic & nuclear chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Crystallography, chemistry, Chloranilic acid, Molecule, General Materials Science, Stoichiometry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::49b9dc51915112d033ea873294d73c2e
https://doi.org/10.1039/c6ce01065b