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1Academic Journal
المؤلفون: Wenyu Sun, Namhoon Kim, Amani M. Ebrahim, Shubham Sharma, Aaron Hollas, Qian Huang, David M. Reed, Edwin C. Thomsen, Vijayakumar Murugesan, Anthony van Buuren, Liwen F. Wan, Jonathan R. I. Lee
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, unique spectroscopic features, solvated vanadium complexes, redox couple reactions, ray absorption spectroscopy, independently size power, represent functional groups, temperature operation conditions, extended cycling within, 3 , 3 +, 2 , vrfbs heavily relies, different functional groups, active species present, distinct carbon atoms, edge xas spectra, different conditions, functional vrfb, carbon atoms, simulated spectra, extended lifespans, different electrolytes
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2Academic Journal
المؤلفون: Gabriele Meizyte, Rachael H. Brown, Edward I. Brewer, Peter D. Watson, Stuart R. Mackenzie
مصطلحات موضوعية: Biophysics, Biochemistry, Immunology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, sup >+, local mode vibrations, inner coordination shell, cooperative binding effects, 1 – 5, 1 – 4, classical carbonyl bonding, nitrous oxide complexes, ligand rhodium complexes, energy structural isomers, )< sub ><, pure carbonyl complexes, observed vibrational structure, 2 , mixed carbonyl, lying isomers, σ donation, two ligands, simulated spectra, simple statistical, phase mixed, molecular beam, infrared spectra
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3Academic Journal
المؤلفون: Marc Alías-Rodríguez, Simone Bonfrate, Woojin Park, Nicolas Ferré, Cheol Ho Choi, Miquel Huix-Rotllant
مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, showing excellent agreement, three protonation states, ray absorption spectra, accurate theoretical protocol, ray absorption, states represented, simulated spectra, accurate description, relevant k, reference spin, protocols exist, n k, molecular mechanics, mm based, gas phase, functional theory, flip time, efficiently reproduce, dependent density, almost unaffected
الاتاحة: https://doi.org/10.1021/acs.jpca.3c05070.s001
https://figshare.com/articles/journal_contribution/Solvent_Effects_and_pH_Dependence_of_the_X_ray_Absorption_Spectra_of_Proline_from_Electrostatic_Embedding_Quantum_Mechanics_Molecular_Mechanics_and_Mixed-Reference_Spin-Flip_Time-dependent_Density-Functional_Theory/24660338 -
4Academic Journal
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, π → π, varying excitation energy, distinct enhancement patterns, internal ct character, chemical enhancement mechanism, sers spectra observed, experimental resonant raman, resonant sers spectra, 1 , sers spectra indicating, resonant raman, internal ct, chemical mechanism, experimental methods, c <, >]- 1, simulated spectra, results indicate, resonance conditions, multiconfigurational xms, multiconfigurational calculations, major contribution, main features, excited state
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5
المؤلفون: Marcin Kastek, Paweł Gąsior, Wojciech Gromelski
مصطلحات موضوعية: LIBS, Simulated spectra
Relation: https://doi.org/10.5281/zenodo.6077130; https://doi.org/10.5281/zenodo.6077131; oai:zenodo.org:6077131
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6
المؤلفون: Zhencen He, Jiyan Zhang, Jiamin Yang, Bing Yan, Zhimin Hu
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7Conference
المساهمون: Roberto Zamboni, Francois Kajzar, Attila A. Szep, Calderisi, Marco, Ulrici, Alessandro, Pigani, Laura, Alberto, Secchi, Seeber, Renato
مصطلحات موضوعية: simulated spectra, experimental design, sigmoidal transfer function, denoising, Fast Wavelet Transform
وصف الملف: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/isbn/9780819492869; info:eu-repo/semantics/altIdentifier/wos/WOS:000313294400007; ispartofbook:Optical Materials and Biomaterials in Security and Defence Systems Technology IXOptical Materials and Biomaterials in Security and Defence Systems Technology IX; Security and Defence Systems Technology IX; volume:8545; serie:PROCEEDINGS OF SPIE, THE INTERNATIONAL SOCIETY FOR OPTICAL ENGINEERING; info:eu-repo/grantAgreement/EC/FP7/242387; http://hdl.handle.net/11380/952891; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84875713824
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8Academic Journal
المؤلفون: Mingalieva Korobchenko, L.V., Voronkova, V.K., Воронкова, В.К., Galeev, R.T., Sukhanov, A.A., Melnic, S.V., Melnyk, S., Prodius, D.N., Продиус, Д.Н., Turtă, C.I., Turta, C., Туртэ, К.И.
المصدر: Applied Magnetic Resonance 737-750
مصطلحات موضوعية: Anisotropy parameters, Electron paramagnetic resonance, EPR spectra, Interdimer interactions, Isotropic exchange, Magnetization transfer, Neodymium ions, Q-bands, Relaxation transitions, Simulated spectra, Spin-spin interaction
وصف الملف: application/pdf
Relation: https://ibn.idsi.md/vizualizare_articol/198648; urn:issn:09379347
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9
المؤلفون: Kumavat, Sandip, Chakraborty, Sudip, Rahane, Amol B., Deshpande, Mrinalini D., Ahuja, Rajeev
المصدر: RSC Advances. 6(76):72537-72543
مصطلحات موضوعية: Cluster analysis, Density functional theory, Electromagnetic wave absorption, Energy gap, Light absorption, Energy configurations, Simulated spectra, Smooth transitions, Static polarizabilities, Systematic study, Time dependent density functional theory, Time-dependent DFT, Transition energy
وصف الملف: print
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10
المؤلفون: Bora, D. K., Cheng, X., Kapilashrami, M., Glans, P. A., Luo, Yi, Guo, J. -H
المصدر: Journal of Synchrotron Radiation. 22:1450-1458
مصطلحات موضوعية: branching ratio, cobalt L-edge, I(L3)/I(L2) ratio, NEXAFS, site symmetry, Cobalt, Cobalt compounds, Electronic properties, Electronic structure, Ligands, Metal ions, Metals, X ray absorption spectroscopy, Qualitative analysis, Relative intensity, Simulated spectra, Soft x-ray absorption spectroscopies, Spectral characteristics, Crystal structure
وصف الملف: print
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11
المصدر: ChemPhysChem
15 (2014): 3320–3333. doi:10.1002/cphc.201402323
info:cnr-pdr/source/autori:Improta, Roberto; Ferrer, Francisco José Avila; Stendardo, Emiliano; Santoro, Fabrizio/titolo:Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations/doi:10.1002%2Fcphc.201402323/rivista:ChemPhysChem (Print)/anno:2014/pagina_da:3320/pagina_a:3333/intervallo_pagine:3320–3333/volume:15مصطلحات موضوعية: Computational chemistry, Simulated spectra, Chemistry, Anharmonicity, Molecular physics, Atomic and Molecular Physics, and Optics, Molecular electronic transition, Spectral line, Density functional calculations, Molecular vibration, Spectral width, Oligothiophenes, First principle, Emission spectrum, Physical and Theoretical Chemistry, Quantum chemistry, Quantum
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12
المؤلفون: Chrystele Dehe-Pittance, Thomas Dautremer, T. Montagu, Matthieu Hamel, Eric Barat, Stephane Normand, Philippe Pillot, Romain Coulon, Frederick Carrel
المساهمون: Laboratoire Capteurs et Architectures Electroniques (LCAE), Département Métrologie Instrumentation & Information (DM2I), Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, French 'Direction Générale de l’Armement' 'Secrétariat Général de la Défense et de la Sécurité Nationale', Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA))
المصدر: 2013 3rd International Conference on Advancements in Nuclear Instrumentation, Measurement Methods and their Applications (ANIMMA)
2013 3rd International Conference on Advancements in Nuclear Instrumentation, Measurement Methods and their Applications (ANIMMA), Jun 2013, Marseille, France. pp.06727889, ⟨10.1109/ANIMMA.2013.6727889⟩مصطلحات موضوعية: MCNPX simulations, Nuclear engineering, chemical threats, 02 engineering and technology, Deconvolution, Radiation Portal Monitor, 030218 nuclear medicine & medical imaging, 0302 clinical medicine, nuclear materials safeguards, Gamma spectroscopy, Inference algorithms, Spectroscopy, pseudogamma spectrometry, fast gamma spectrometry, scintillator-gamma interaction, low cost radiation portal monitors, Gamma ray, Monte Carlo methods, material chemistry, Photoelectric effect, 021001 nanoscience & nanotechnology, sensor detection efficiency, solid scintillation detectors, 60Co simulated spectra, Scintillation counter, 241Am simulated spectra, high yield explosive threats, large scale radiation portal monitors, lead loaded plastic scintillators, national security, Scintillation counters, 0210 nano-technology, Gamma-rays, Plastics, [PHYS.PHYS.PHYS-DATA-AN]Physics [physics]/Physics [physics]/Data Analysis, Statistics and Probability [physics.data-an], Nuclear measurements, bismuth loaded plastic scintillators, Compton edge, plastic scintillator preparation, Scintillator, [PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex], radiological threats, 03 medical and health sciences, photoelectric peak, nuclear threats, luminescence, Instrumentation (computer programming), [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], biological threats, special nuclear material detection, homeland security, CBRN-E threats, gamma-ray spectroscopy, Lead, Bismuth
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13
المؤلفون: Nina Lundbom, Juhani Pulkkinen, Jouni Kaartinen, Risto A. Kauppinen, Yrjö Hiltunen, Anna Maija Häkkinen
المصدر: Hiltunen, Y, Kaartinen, J, Pulkkinen, J, Häkkinen, A-M, Lundbom, N & Kauppinen, R 2002, ' Quantification of human brain metabolites from in Vivo 1 H NMR magnitude spectra using automated artificial neural network analysis ', Journal of Magnetic Resonance, vol. 154, no. 1, pp. 1-5 . https://doi.org/10.1006/jmre.2001.2457
مصطلحات موضوعية: Nuclear and High Energy Physics, Magnetic Resonance Spectroscopy, brain metabolites, Metabolite, Biophysics, Analytical chemistry, simulated spectra, Biochemistry, Spectral line, Choline, 030218 nuclear medicine & medical imaging, 03 medical and health sciences, chemistry.chemical_compound, NMR spectroscopy, 0302 clinical medicine, Nuclear magnetic resonance, In vivo, medicine, Humans, metabolites, Brain Chemistry, 1H nuclear magnetic resonance spectroscopy, Aspartic Acid, Artificial neural network, Chemistry, Brain, Nuclear magnetic resonance spectroscopy, Human brain, Condensed Matter Physics, quantification, medicine.anatomical_structure, Creatinine, Magnitude (astronomy), Proton NMR, Neural Networks, Computer, artificial neural network, 030217 neurology & neurosurgery
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14
المؤلفون: S. Ramanathan, S. Noyel Victoria
المصدر: IndraStra Global.
مصطلحات موضوعية: Langmuir, Kramers–Kronig relations, Karush–Kuhn–Tucker conditions, Chemistry, General Chemical Engineering, Analytical chemistry, Langmuir adsorption model, Thermodynamics, Dielectric spectroscopy, Nonlinear system, symbols.namesake, Adsorbed intermediates, Analytical solutions, Anodic dissolution, EIS, Electrochemical impedance spectra, Electrochemical systems, Frumkin adsorption isotherms, Impedance spectrum, Kramers Kronig Transforms, Langmuirs, Non-Linearity, Numerical results, Potential drift, Reaction mechanism, Simulated spectra, Unstable system, Adsorption, Electrochemical corrosion, Electrochemistry, Equivalent circuits, Mathematical transformations, Solid solutions, Dissolution, symbols, Equivalent circuit, Physics::Chemical Physics
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15Academic Journal
المؤلفون: Reiter, P., Khoo, T.L., Ahmad, I., Afanasjev, A.V., Heinz, A., Lauritsen, T., Lister, C.J., Seweryniak, D., Bhattacharyya, P., Butler, P.A., Carpenter, M.P., Chewter, A.J., Cizewski, J.A., Davids, C.N., Greene, J.P., Greenlees, P.T., Helariutta, K., Herzberg, R.-D., Janssens, R.V.F., Jones, G.D., Julin, R., Kankaanpää, H., Kettunen, H., Kondev, F.G., Kuusiniemi, P., Leino, M., Siem, S., Sonzogni, A.A., Uusitalo, J., Wiedenhover, I.
المصدر: Physical Review Letters, 95(3)
مصطلحات موضوعية: Gamma rays, Simulated spectra, Rotational band, Spectroscopic analysis, Matrix algebra, Set theory, Spectrum analysis
Relation: https://doi.org/10.17615/qtb4-kd82; https://cdr.lib.unc.edu/downloads/n583z4792?file=thumbnail; https://cdr.lib.unc.edu/downloads/n583z4792
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16Report
المؤلفون: Gao, Hongwei, He, Hong, Zhang, Changbin, Yan, Tingxia
مصطلحات موضوعية: Dft, In Situ Drifts, Simulated Spectra, Formate, Cu-al(2)o(3) Catalyst
Relation: JOURNAL OF MOLECULAR STRUCTURE; http://ir.rcees.ac.cn/handle/311016/21899
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17Report
المؤلفون: Gao, Hongwei, Yan, Tingxia, Zhang, Changbin, He, Hong
مصطلحات موضوعية: Dft, In Situ Drifts, Simulated Spectra, Formate, Cu-al2o3 Catalyst
Relation: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM; http://ir.rcees.ac.cn/handle/311016/21900
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18Report
المؤلفون: Gao, Hongwei, He, Hong, Yu, Yunbo, Yan, Tingxia
مصطلحات موضوعية: Dft, In Situ Drifts, Simulated Spectra, Enolic Species, Al2o3 Catalyst
Relation: JOURNAL OF MOLECULAR STRUCTURE; http://ir.rcees.ac.cn/handle/311016/21885
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19Academic Journal
المؤلفون: Leah R. Filardi, Fernando D. Vila, Jiyun Hong, Adam S. Hoffman, Jorge E. Perez-Aguilar, Simon R. Bare, Ron C. Runnebaum, Coleman X. Kronawitter
مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Evolutionary Biology, Science Policy, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, value commodity chemicals, spectra also indicate, simulations included consideration, simulated spectra derived, ray absorption spectroscopy, natural gas sources, ab initio <, cao structures organized, multiple ca loadings, ca primarily exists, unique nanoscale structures, probable local environment, assisted methane coupling, supported cao catalysts, microscopic physical structure, 2 , methane coupling activity, local ca structure, previously reported co, methane coupling, local structure, dimensional structures
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20Academic Journal
المؤلفون: Chuncui Huang (6033386), Meijie Hou (11410940), Jingyu Yan (3841300), Hui Wang (30400), Yu Wang (12152), Cuiyan Cao (14294304), Yaojun Wang (309584), Huanyu Gao (13009710), Xinyue Ma (8623353), Yi Zheng (113896), Dongbo Bu (6518), Wengang Chai (163394), Yan Li (23143), Shiwei Sun (17900)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, multistage mass spectrometry, single group could, acquired experimental spectra, multiple isomeric structures, n , matched glycan group, isomeric glycans within, 11 standard mixtures, individual glycan components, isomeric components, glycan structures, glycan group, individual glycans, simulated spectra, intelligent group, candidate glycans, tie break, possible combinations, opting strategy, intimately linked, highly desirable, high accuracy, different functions