المؤلفون: Mohammed Al-Farsi, Michele Cutini, Neil L Allan, Judy N Hart

المصدر: JPhys Materials, Vol 7, Iss 2, p 025013 (2024)

مصطلحات موضوعية: density functional theory, semiconductor, band gap, solid solution, doping, photocatalysis, Materials of engineering and construction. Mechanics of materials, TA401-492, Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2515-7639

URL الوصول: https://doaj.org/article/da350f2c8035455aa3babd66fdb78fb6

المؤلفون: Michele Cutini, Bartolomeo Civalleri, Piero Ugliengo

المصدر: ACS Omega, Vol 4, Iss 1, Pp 1838-1846 (2019)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2470-1343

URL الوصول: https://doaj.org/article/5310e973f02944eaa273f5d7418abb53

المؤلفون: Michele Cutini, Gaia Forghieri, Mauro Ferrario, Maria Clelia Righi

المصدر: Carbon. 203:601-610

مصطلحات موضوعية: Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Materials Science, General Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::501f4c2a0564496bfc21855d9bec4169
https://doi.org/10.1016/j.carbon.2022.11.074

المؤلفون: Edoardo Marquis, Michele Cutini, Babak Anasori, Andreas Rosenkranz, Maria Clelia Righi

المساهمون: Marquis, Edoardo, Cutini, Michele, Anasori, Babak, Rosenkranz, Andrea, Righi, Maria Clelia

المصدر: ACS Applied Nano Materials. 5:10516-10527

مصطلحات موضوعية: interlayer adhesion, (nano)-tribology, General Materials Science, solid lubricant, Mxene, substrate interaction, DFT

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e8eefd42fedddc4a894f3b889cab5f7
https://doi.org/10.1021/acsanm.2c01847

المؤلفون: Philipp G. Grützmacher, Michele Cutini, Edoardo Marquis, Manel Rodríguez Ripoll, Helmut Riedl, Philip Kutrowatz, Stefan Bug, Chia‐Jui Hsu, Johannes Bernardi, Maria Clelia Righi, Carsten Gachot, Ali Erdemir

المصدر: Advanced Materials.

مصطلحات موضوعية: Mechanics of Materials, Mechanical Engineering, General Materials Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::05ee7c9f960d2d48aebe6790e30548aa
https://doi.org/10.1002/adma.202302076

المؤلفون: Michele Cutini, Marta Corno, Dominique Costa, Piero Ugliengo

المساهمون: Cutini, Michele, Corno, Marta, Costa, Dominique, Ugliengo, Piero

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000463844500004; volume:123; issue:13; firstpage:7540; lastpage:7550; numberofpages:11; journal:JOURNAL OF PHYSICAL CHEMISTRY. C.; http://hdl.handle.net/11579/103467; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85057525645

الاتاحة: http://hdl.handle.net/11579/103467
https://doi.org/10.1021/acs.jpcc.7b10013
https://pubs.acs.org/doi/10.1021/acs.jpcc.7b10013

المؤلفون: Irene Bechis, Michele Cutini, Piero Ugliengo, Marta Corno

المصدر: Journal of Chemical Theory and Computation. 17:2566-2574

مصطلحات موضوعية: Models, Molecular, Physics, Work (thermodynamics), 010304 chemical physics, Basis (linear algebra), Molecular, Proteins, Function (mathematics), Energy minimization, 01 natural sciences, Computer Science Applications, Models, Robustness (computer science), Collagen, Density Functional Theory, 0103 physical sciences, Line (geometry), Density functional theory, Physical and Theoretical Chemistry, Biological system, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c0ebef51f170837e4a61cbd2bc4dbce
https://doi.org/10.1021/acs.jctc.1c00015

المؤلفون: Ton V. W. Janssens, Gloria Berlier, Tommaso Selleri, Silvia Bordiga, Michele Cutini, Elisa Borfecchia, Chiara Negri, Andrea Martini, Kirill A. Lomachenko

المصدر: Journal of the American Chemical Society

مصطلحات موضوعية: Chabazite, Chemistry, chemistry.chemical_element, Selective catalytic reduction, General Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, Oxygen, Catalysis, Article, 0104 chemical sciences, Diesel fuel, Colloid and Surface Chemistry, Polymer chemistry, Reactivity (chemistry), NOx

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ada34438e5f8f048595f4b27233e768f
http://europepmc.org/articles/PMC8011910

المؤلفون: Piero Ugliengo, Massimo Bocus, Michele Cutini

المصدر: The Journal of Physical Chemistry B. 123:7354-7364

مصطلحات موضوعية: Models, Molecular, Protein Conformation, alpha-Helical, Physics, Proline, 010304 chemical physics, Collagen helix, Binding energy, Protein engineering, 010402 general chemistry, 01 natural sciences, London dispersion force, 0104 chemical sciences, Surfaces, Coatings and Films, Protein structure, Chemical physics, 0103 physical sciences, Materials Chemistry, Humans, Thermodynamics, Density functional theory, Collagen, Physical and Theoretical Chemistry, Quantum, Density Functional Theory, Triple helix

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ff30be04c8f46111d9fabbd153bee40
https://doi.org/10.1021/acs.jpcb.9b05222

المؤلفون: Piero Ugliengo, Michele Cutini

المصدر: The Journal of chemical physics. 155(7)

مصطلحات موضوعية: Diffraction, Models, Molecular, Protein Conformation, alpha-Helical, Quantitative Biology::Biomolecules, Materials science, Proline, Infrared, Quantitative Biology::Tissues and Organs, Collagen helix, General Physics and Astronomy, Infrared spectroscopy, Helicity, Molecular physics, Amides, Vibration, Normal mode, Solvents, Density functional theory, Collagen, Physical and Theoretical Chemistry, Density Functional Theory, Triple helix

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce807a6949d7e289dd8b25cfa1383659
https://pubmed.ncbi.nlm.nih.gov/34418922

المؤلفون: Michele Cutini, Piero Ugliengo, Lorenzo Maschio

المصدر: Journal of Chemical Theory and Computation

مصطلحات موضوعية: Materials science, 010304 chemical physics, Brucite, Ionic bonding, engineering.material, 01 natural sciences, Exfoliation joint, London dispersion force, Portlandite, Article, Computer Science Applications, Atomic orbital, Chemical physics, 0103 physical sciences, engineering, Density functional theory, Physical and Theoretical Chemistry, Dispersion (chemistry)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::167023ee4cb0718e12e42585e2f8d5cf
http://hdl.handle.net/2318/1766414

المؤلفون: Michele Cutini, Piero Ugliengo, Marta Corno

المصدر: Journal of Chemical Theory and Computation. 13:370-379

مصطلحات موضوعية: Models, Molecular, Molecular Conformation, Thermodynamics, Nanotechnology, Trimer, 010402 general chemistry, 01 natural sciences, Pyrrolidine, chemistry.chemical_compound, symbols.namesake, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Proline, Physical and Theoretical Chemistry, Conformational isomerism, Basis set, Quantitative Biology::Biomolecules, 010304 chemical physics, Computer Science Applications1707 Computer Vision and Pattern Recognition, 0104 chemical sciences, Computer Science Applications, chemistry, Potential energy surface, symbols, Density functional theory, Peptides, Hamiltonian (quantum mechanics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36f0db7a46d886ed30ae94fe7c498643
https://doi.org/10.1021/acs.jctc.6b01045

المؤلفون: Stefano Pantaleone, Michele Cutini, Piero Ugliengo

المصدر: ACS Publications

مصطلحات موضوعية: 010304 chemical physics, Strain (chemistry), Protein family, Chemistry, Collagen helix, Solvation, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Crystallography, 0103 physical sciences, General Materials Science, Physical and Theoretical Chemistry, Structural motif, Peptide sequence

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7de0df7183def18f40d8242127bd28e1

المؤلفون: Ton V. W. Janssens, Silvia Bordiga, Kirill A. Lomachenko, Michele Cutini, Elisa Borfecchia, Chiara Negri, Gloria Berlier

مصطلحات موضوعية: Materials science, nitrates, Organic Chemistry, Cu−CHA, FTIR spectroscopy, SCR, UV-Vis spectroscopy, Mixed ligand, Catalysis, Inorganic Chemistry, Ultraviolet visible spectroscopy, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, Nuclear chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e15aa548d7078438c3d2a259dc4b0762
http://hdl.handle.net/2318/1725027

المؤلفون: Elisa Borfecchia, Kirill A. Lomachenko, Ton V. W. Janssens, Michele Cutini, Gloria Berlier, Silvia Bordiga, Chiara Negri

المصدر: ChemCatChem. 11:3555-3555

مصطلحات موضوعية: Inorganic Chemistry, Crystallography, Ultraviolet visible spectroscopy, Chemistry, Feature (computer vision), Organic Chemistry, Cover (algebra), Mixed ligand, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3aff1f48c6a47a5dd6db6061e29a837e
https://doi.org/10.1002/cctc.201901328

المؤلفون: Michele Cutini, Judy N. Hart, Neil L. Allan

المصدر: Energy Procedia. 60:32-36

مصطلحات موضوعية: Work (thermodynamics), Materials science, Band gap, business.industry, Mixing (process engineering), band gap modification, Photcatalysts, Energy(all), solid solutions, ZnS, ZnO, Photocatalysis, Optoelectronics, business, Solid solution

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e60c2b546714404273fe864ef2148dc6
https://doi.org/10.1016/j.egypro.2014.12.338

المؤلفون: Roberto Orlando, Lorenzo Maschio, Marta Corno, Bartolomeo Civalleri, Piero Ugliengo, Jan Gerit Brandenburg, Michele Cutini

مصطلحات موضوعية: Physics, 010304 chemical physics, Basis (linear algebra), Structure (category theory), Computer Science Applications1707 Computer Vision and Pattern Recognition, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Computer Science Applications, Set (abstract data type), Physical and Theoretical Chemistry, Bounded function, 0103 physical sciences, Benchmark (computing), Statistical physics, Dispersion (chemistry), Quantum, Energy (signal processing), Simulation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2360c2c826118b26b7e011ff19d08e9
http://hdl.handle.net/2318/1591984

المؤلفون: Michele Cutini (2862002), Irene Bechis (10355800), Marta Corno (1584613), Piero Ugliengo (1278189)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biotechnology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, Collagen Protein Models Collagen pr., approach, D 3 ABC, GFN 1-xTB method, PBE, Quantum Mechanical Simulations, HSE, collagen triple-helical domain, 3LYP, DFT, collagen protein, QM, HF -3c method

Relation: https://figshare.com/articles/journal_contribution/Balancing_Cost_and_Accuracy_in_Quantum_Mechanical_Simulations_on_Collagen_Protein_Models/14269867

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00015.s001

المؤلفون: Gabriele Losi, Paolo Restuccia, Maria clelia Righi, Michele Cutini

المساهمون: Losi, Gabriele, Cutini, Michele, Restuccia, Paolo, Righi, Maria Clelia

المصدر: Journal of Nanostructure in Chemistry.

مصطلحات موضوعية: Phosphorene · Friction · Adhesion · Interfaces

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ba15b8ae5df92dd14513f0f0d81c0c9