المؤلفون: Boucly, Anthony, Rochet, François, Tissot, Héloïse, Arnoux, Quentin, Gallet, Jean-Jacques, Bournel, Fabrice, Carniato, Stéphane, Dubois, Emmanuelle, Michot, Laurent, Marry, Virginie

المساهمون: Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR), Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), UCCS Équipe Modélisation et spectroscopies, Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université d'Artois (UA)-Centrale Lille-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), ANR-08-BLAN-0096,SAPRES,Surfaces under Ambient Pressure with Electron Spectroscopies(2008)

المصدر: ISSN: 1932-7447.

مصطلحات موضوعية: Clays smectites water soft X-rays synchrotron radiation near ambient pressure X-ray photoelectron spectroscopy electronic structure core-ionization spectroscopy binding energy shifts molecular dynamics DFT quantum chemistry, Clays, smectites, water, soft X-rays, synchrotron radiation, near ambient pressure, X-ray photoelectron spectroscopy, electronic structure, core-ionization spectroscopy, binding energy shifts, molecular dynamics, DFT quantum chemistry, [CHIM]Chemical Sciences

الاتاحة: https://hal.science/hal-04734886
https://hal.science/hal-04734886v1/document
https://hal.science/hal-04734886v1/file/Hydration%20of%20Clay_Revised_Final.pdf
https://doi.org/10.1021/acs.jpcc.4c04072

المؤلفون: Dreuw, A., Fransson, Thomas

المصدر: Physical Chemistry, Chemical Physics - PCCP.

مصطلحات موضوعية: Algebra, Emission spectroscopy, Freezing, Perturbation techniques, Photoelectrons, Photoionization, Photons, X ray photoelectron spectroscopy, Core hole, Core-ionization, Energy, Energy correction, Energy X-rays, Numerical instability, Reference state, Virtual orbitals, X ray photoelectron spectrum, X-ray emission spectra, Numerical methods

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-323849
https://doi.org/10.1039/d2cp00584k

Thesis Advisors: UAM. Departamento de Química

المصدر: Journal of Chemical Physics 142.19 (2015): 194303
0021-9606 (print)
1089-7690 (online)
194303
19
142

مصطلحات موضوعية: Ionization, Carbon, Synchrotron radiation, Core ionization, Química

URL الوصول: http://hdl.handle.net/10486/676867

المؤلفون: Daniel Mejia-Rodriguez (11786026), Alexander Kunitsa (11786029), Edoardo Aprà (1273671), Niranjan Govind (1277112)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, studied ethyl trifluoroacetate, semicore ionization energies, core65 data sets, quasiparticle equation solver, benchmark tests using, core ionization spectroscopies, minres solver, approaches using, water clusters, parallel performance, increasing size, implementation using, gw <, esca molecule, deformation method, deformation approach, coulomb interaction, core spectra, computational scaling, complex heuristic, also demonstrate, 1 order

Relation: https://figshare.com/articles/journal_contribution/Scalable_Molecular_GW_Calculations_Valence_and_Core_Spectra/17118487

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00738.s001

المؤلفون: Kivimäki, A. (Antti), Stråhlman, C. (Christian), Sankari, R. (Rami), Richter, R. (Robert)

مصطلحات موضوعية: C 1s, CHF3, F 1s, core ionization and excitation, ion‐ion coincidence techniques, negative ions, photodissociation

وصف الملف: application/pdf

الاتاحة: http://urn.fi/urn:nbn:fi-fe2020060440757

المؤلفون: Debarati Bhattacharya (10716141), K. R. Shamasundar (10716169), Agapi Emmanouilidou (6766097)

مصطلحات موضوعية: Theory - Computational, Inner valence ionization, Core ionization, Potential energy curve, CASSCF optimizations

Relation: https://figshare.com/articles/preprint/Potential_Energy_Curves_of_Molecular_Nitrogen_for_Singly_and_Doubly_Ionized_States_with_Core_and_Valence_Holes/14501685

الاتاحة: https://doi.org/10.26434/chemrxiv.14501685.v1

المؤلفون: Akter, Sharmin

المصدر: Open Access Theses & Dissertations

مصطلحات موضوعية: Core ionization energy, Density Functional Theory, FLOSIC, Polarizability, PZSIC, Self-interaction correction, Physics

وصف الملف: application/pdf

Relation: https://scholarworks.utep.edu/open_etd/3952; https://scholarworks.utep.edu/context/open_etd/article/4951/viewcontent/Akter_utep_0459D_14300.pdf

الاتاحة: https://scholarworks.utep.edu/open_etd/3952
https://scholarworks.utep.edu/context/open_etd/article/4951/viewcontent/Akter_utep_0459D_14300.pdf

المؤلفون: Wilken Aldair Misael, Andre Severo Pereira Gomes

مصطلحات موضوعية: relativistic electronic structure, density functional theory, coupled cluster theory, frozen density embedding, actinides, uranyl tetrachloride, core ionization, x-ray absorption

Relation: https://zenodo.org/communities/lille; https://doi.org/10.5281/zenodo.7632749; https://doi.org/10.5281/zenodo.7632750; oai:zenodo.org:7632750

الاتاحة: https://doi.org/10.5281/zenodo.7632750

المؤلفون: Travnikova, Oksana, 1981

المساهمون: Piancastelli, Maria Novella, Prof., Svensson, Svante, Prof., Ceolin, Denis, Lablanqui, Pascal, Prof.

المصدر: Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology.

مصطلحات موضوعية: Physics, Synchrotron radiation, X-ray Photoelectron Spectroscopy (XPS), X-ray Absorption Spectroscopy (XAS), Resonant Auger Spectroscopy (RAS), Auger Electron Spectroscopy (AES), Energy-Selected Auger Electron PhotoIon COincidence (ES-AEPICO), core excitation, core ionization, linear free energy relationships (LFER), molecular-field splitting, substituent effects, nuclear dynamics, isomerization, Cl2, N2O, methane derivatives, allene, acetylacetone, Fysik

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8904
https://uu.diva-portal.org/smash/get/diva2:172200/FULLTEXT01.pdf
https://uu.diva-portal.org/smash/get/diva2:172200/COVER01.pdf

المؤلفون: Kivimäki, Antti, Stråhlman, Christian, Sankari, Rami, Richter, Robert

المصدر: Journal of Mass Spectrometry; 55(5), no e4487 (2020) ; ISSN: 1076-5174

مصطلحات موضوعية: Physical Chemistry, C 1s, CHF, core ionization and excitation, F 1s, ion-ion coincidence techniques, negative ions, photodissociation

Relation: http://dx.doi.org/10.1002/jms.4487; pmid:31826309; scopus:85083912672

الاتاحة: https://lup.lub.lu.se/record/f8477214-db0f-4a5e-a4d7-d742056a8e16
https://doi.org/10.1002/jms.4487

المؤلفون: Ivan Ljubić

المصدر: Journal of Chemical Theory and Computation. 10:2333-2343

مصطلحات موضوعية: Physics, Nitroxide mediated radical polymerization, Binding energy, Perturbation (astronomy), Core-ionization spectra, Ab initio methods, Core electron binding energy, Free radicals, Nitroxyl Radicals, Density functional theory, Perturbation theory, Molecular physics, Spectral line, Computer Science Applications, Ionization, Quantum electrodynamics, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Ionization energy, Open shell, Basis set

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::743642684d34dc9714306ce4c70a6946
https://doi.org/10.1021/ct500111n

المؤلفون: Laksman, J., Kooser, K., Levola, H., Itälä, E., Ha, D. T., Rachlew, Elisabeth, Kukk, E.

المصدر: Journal of Physical Chemistry B. 118(40):11688-11695

مصطلحات موضوعية: Core ionization, Dications, Dissociation pathways, Site selective

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-155783

المؤلفون: Bazante, Alexandre

مصطلحات موضوعية: core-excitation -- core-ionization -- shape-resonance, Chemistry -- Dissertations, Academic, Chemistry thesis, Ph.D

جغرافية الموضوع: UF

وصف الملف: 1 online resource (142 p.)

Relation: http://ufdc.ufl.edu/UFE0050879/00001

الاتاحة: http://ufdc.ufl.edu/UFE0050879/00001

المؤلفون: Itala, E, Ha, D T, Kooser, K, Huels, M A, Rachlew, Elisabeth, Nommiste, E, Joost, U, Kukk, E

المصدر: Journal of Electron Spectroscopy and Related Phenomena. 184(3-6):119-124

مصطلحات موضوعية: PEPICO, Core ionization, Auger, Time-of-flight, Coincidence, Molecular fragmentation, Dissociation, NATURAL SCIENCES, Physics, Atomic and molecular physics, NATURVETENSKAP, Fysik, Atom- och molekylfysik

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-36883

المؤلفون: Plashkevych, O., Snis, A., Yang, L., Ågren, Hans, Matar, S. F.

المصدر: Physica scripta. T. 63(1):70-86

مصطلحات موضوعية: static-exchange calculations, bias-enhanced nucleation, core ionization energies, ab-initio, electron-spectroscopy, fine-structure, band-structure, diamond films, thin-films, photoabsorption

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-20299

المؤلفون: Branka Kovač, Ivan Ljubić, Igor Novak, Marcello Coreno, Antti Kivimäki

المصدر: PCCP. Physical chemistry chemical physics
16 (2014): 10734–10742. doi:10.1039/c4cp00867g
info:cnr-pdr/source/autori:Kovac B.; Ljubic I.; Kivimaki A.; Coreno M.; Novak I./titolo:Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy/doi:10.1039%2Fc4cp00867g/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2014/pagina_da:10734/pagina_a:10742/intervallo_pagine:10734–10742/volume:16

مصطلحات موضوعية: Valence (chemistry), Molecular Structure, Chemistry, Photoelectron Spectroscopy, Binding energy, General Physics and Astronomy, Ionic bonding, Electrons, Photoionization, Electronic structure, stable nitroxyl radicals, synchrotron radiation, valence and core ionization region, CEBE, ROHF deltaSCF, Core electron, Ionization, Physics::Atomic and Molecular Clusters, Nitrogen Oxides, Physics::Atomic Physics, Physical and Theoretical Chemistry, Atomic physics, Open shell

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6614e829ce49a922af234232b8321b7f
http://www.cnr.it/prodotto/i/302264

المؤلفون: Valentina F. Degtyareva

المصدر: Cogent Physics, Vol 4, Iss 1 (2017)

مصطلحات موضوعية: alkali metals, Materials science, FOS: Physical sciences, Thermodynamics, 02 engineering and technology, Electron, 01 natural sciences, Melting curve analysis, Outer core, Group (periodic table), Condensed Matter::Superconductivity, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Energy level, lcsh:Science, 010306 general physics, Condensed Matter - Materials Science, core ionization, Materials Science (cond-mat.mtrl-sci), General Medicine, 021001 nanoscience & nanotechnology, Alkali metal, lcsh:QC1-999, Brillouin zone, melting T–P curves, lcsh:Q, 0210 nano-technology, lcsh:Physics, Fermi Gamma-ray Space Telescope

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::624be5a00abbb17727d7e2c0cbecb1eb
https://doi.org/10.1080/23311940.2017.1327697

المؤلفون: Laurent, Adèle

Thesis Advisors: Nancy 1, Assfeld, Xavier

مصطلحات موضوعية: Absoption UV/visible, Capture électronique, Ionisation de coeur, Qm/mm, Lscf, UV/visible absorption, Electronic capture, Core ionization

الاتاحة: http://www.theses.fr/2010NAN10075/document

المؤلفون: Laurent, Adèle

المساهمون: UL, Thèses, Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université Henri Poincaré - Nancy 1, Xavier Assfeld

المصدر: Autre. Université Henri Poincaré-Nancy 1, 2010. Français. ⟨NNT : 2010NAN10075⟩

مصطلحات موضوعية: Core ionization, Rayonnement ultraviolet, [CHIM.OTHE] Chemical Sciences/Other, Lscf, Electronic capture, UV/visible absorption, [CHIM.OTHE]Chemical Sciences/Other, Électrons -- Capture, Qm/mm, Ionisation, Absorption, Macromolécules

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ca4de73645d87134ee7e067059ce75fc
https://hal.univ-lorraine.fr/tel-01748648

المؤلفون: Castilho, R. B. de, Nunez, C. V., Coutinho, Lúcia H., Lago, Alexsandre F., Bernini, Rafael Berrelho, Souza, Gerardo Gerson Bezerra de

مصطلحات موضوعية: Kinetic Energy, Mass Spectrometry, Photoionization, Photons, Reaction Kinetics, Synchrotron Radiation, Core Ionization, Electron Impact Mass Spectrum, Limonene, Time-of-flight Mass Spectrometry, Organic Compounds

Relation: Volume 155, Número 1-3, Pags. 77-80; https://repositorio.inpa.gov.br/handle/1/18694

الاتاحة: https://repositorio.inpa.gov.br/handle/1/18694
https://doi.org/10.1016/j.elspec.2006.12.020