المساهمون: Stocks, George [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)]

المصدر: Journal of Physics and Chemistry of Solids; 79

وصف الملف: Medium: ED; Size: p. 55-65

URL الوصول: http://www.osti.gov/scitech/servlets/purl/1265406

المؤلفون: Özışık, Havva Boğaz, Çolakoǧlu, Kemal, Deligöz, Engin

المساهمون: Sabire Yazıcı Fen Edebiyat Fakültesi

مصطلحات موضوعية: C. Ab Initio Calculations, D. Crystal Structure, D. Lattice Dynamics, D. Mechanical Properties

وصف الملف: application/pdf

Relation: Journal of Physics and Chemistry of Solids; Makale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı; https://dx.doi.org/10.1016/j.jpcs.2011.12.021; https://hdl.handle.net/20.500.12451/2072; 73; 593; 598

الاتاحة: https://hdl.handle.net/20.500.12451/2072
https://doi.org/10.1016/j.jpcs.2011.12.021

المؤلفون: Andriyevsky, B., Doll, K., Jansen, M.

المصدر: ISSN: 0022-3697 ; Journal of Physics and Chemistry of Solids ; https://hal.archives-ouvertes.fr/hal-00615319 ; Journal of Physics and Chemistry of Solids, Elsevier, 2010, 71 (3), pp.357. ⟨10.1016/j.jpcs.2009.12.090⟩.

مصطلحات موضوعية: A. Inorganic compounds, C. Ab initio calculations, D. Elastic properties, D. Electronic structure, D. Ferroelectricity

Relation: hal-00615319; https://hal.archives-ouvertes.fr/hal-00615319; https://hal.archives-ouvertes.fr/hal-00615319/document; https://hal.archives-ouvertes.fr/hal-00615319/file/PEER_stage2_10.1016%252Fj.jpcs.2009.12.090.pdf

الاتاحة: https://hal.archives-ouvertes.fr/hal-00615319
https://hal.archives-ouvertes.fr/hal-00615319/document
https://hal.archives-ouvertes.fr/hal-00615319/file/PEER_stage2_10.1016%252Fj.jpcs.2009.12.090.pdf
https://doi.org/10.1016/j.jpcs.2009.12.090

المؤلفون: Brik, M.G.

المساهمون: University of Tartu

المصدر: ISSN: 0022-3697 ; Journal of Physics and Chemistry of Solids ; https://hal.archives-ouvertes.fr/hal-00671933 ; Journal of Physics and Chemistry of Solids, Elsevier, 2010, 71 (10), pp.1435. ⟨10.1016/j.jpcs.2010.07.007⟩.

مصطلحات موضوعية: A. inorganic compounds, C. Ab initio calculations, D. electronic structure, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

Relation: hal-00671933; https://hal.archives-ouvertes.fr/hal-00671933; https://hal.archives-ouvertes.fr/hal-00671933/document; https://hal.archives-ouvertes.fr/hal-00671933/file/PEER_stage2_10.1016%252Fj.jpcs.2010.07.007.pdf

الاتاحة: https://hal.archives-ouvertes.fr/hal-00671933
https://hal.archives-ouvertes.fr/hal-00671933/document
https://hal.archives-ouvertes.fr/hal-00671933/file/PEER_stage2_10.1016%252Fj.jpcs.2010.07.007.pdf
https://doi.org/10.1016/j.jpcs.2010.07.007

المؤلفون: Andriyevsky, B., Romanyuk, M., Stadnyk, V.

المصدر: ISSN: 0022-3697 ; Journal of Physics and Chemistry of Solids ; https://hal.archives-ouvertes.fr/hal-00560302 ; Journal of Physics and Chemistry of Solids, Elsevier, 2009, 70 (7), pp.1109. ⟨10.1016/j.jpcs.2009.06.007⟩.

مصطلحات موضوعية: A. Inorganic compounds, C. Ab initio calculations, D. Electronic structure, D. Optical properties

Relation: hal-00560302; https://hal.archives-ouvertes.fr/hal-00560302; https://hal.archives-ouvertes.fr/hal-00560302/document; https://hal.archives-ouvertes.fr/hal-00560302/file/PEER_stage2_10.1016%252Fj.jpcs.2009.06.007.pdf

الاتاحة: https://hal.archives-ouvertes.fr/hal-00560302
https://hal.archives-ouvertes.fr/hal-00560302/document
https://hal.archives-ouvertes.fr/hal-00560302/file/PEER_stage2_10.1016%252Fj.jpcs.2009.06.007.pdf
https://doi.org/10.1016/j.jpcs.2009.06.007

المؤلفون: Yinwan Li A, P. A. Montano A, B. Barbiellini D, P. E. Mijnarends D, S. Kaprzyk D, A. Bansil D

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://nuweb.neu.edu/bbarbiellini/research/list/BBA_ART/PCS68_Fe3O4_07.pdf.

مصطلحات موضوعية: A. Magnetic materials, C. Ab initio calculations, D. Phase transitions

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.391.7437; http://nuweb.neu.edu/bbarbiellini/research/list/BBA_ART/PCS68_Fe3O4_07.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.391.7437
http://nuweb.neu.edu/bbarbiellini/research/list/BBA_ART/PCS68_Fe3O4_07.pdf

المؤلفون: Naurang L. Saini, J. Mustre de Leon, A. Vega-Flick

المصدر: Journal of Physics and Chemistry of Solids. 84:80-84

مصطلحات موضوعية: A. Chalcogenides, Chemistry, A. Superconductors, Chemistry (all), Fermi level, Ab initio, D. Electronic structure, General Chemistry, Electronic structure, Condensed Matter Physics, C. Ab initio calculations, C. XAFS (EXAFS and XANES), XANES, Spectral line, Crystallography, symbols.namesake, Atom, Density of states, symbols, General Materials Science, Materials Science (all), Electronic density

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::303992642d60f0e7c8f2a55441f4d1b0
https://doi.org/10.1016/j.jpcs.2014.09.009

المؤلفون: Smirnov, M.B., Kazimirov, V.Y., Baddour-Hadjean, Rita, Smirnov, K., Pereira-Ramos, J.-P.

المساهمون: V.A. Fock Institute of Physics (NIF), St Petersburg State University (SPbU), Frank Laboratory of Neutron Physics Dubna (FLNP), Joint Institute for Nuclear Research (JINR), Institut de Chimie et des Matériaux Paris-Est (ICMPE), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0022-3697 ; Journal of Physics and Chemistry of Solids ; https://hal.science/hal-00913966 ; Journal of Physics and Chemistry of Solids, 2014, 75, pp.115-122. ⟨10.1016/j.jpcs.2013.09.007⟩.

مصطلحات موضوعية: A. Oxides, C. ab initio calculations, D. Crystal structure, D. Phase transitions, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-00913966; https://hal.science/hal-00913966

الاتاحة: https://hal.science/hal-00913966
https://doi.org/10.1016/j.jpcs.2013.09.007

المؤلفون: Gupta, Sanjeev K., Gupta, Sanjay D., Soni, Himadri R., Mankad, Venu, Jha, Prafulla K.

المصدر: Michigan Tech Publications

مصطلحات موضوعية: A. Nitrides, C. Ab-initio calculations, D. Electronic structure, D. Phonons

Relation: https://digitalcommons.mtu.edu/michigantech-p/6859; https://doi.org/10.1016/j.matchemphys.2013.08.046

الاتاحة: https://digitalcommons.mtu.edu/michigantech-p/6859
https://doi.org/10.1016/j.matchemphys.2013.08.046

المؤلفون: Zhu, Jiajie, Muthe, K. P., Pandey, Ravindra

المصدر: Michigan Tech Publications

مصطلحات موضوعية: A: Optical materials, A: Oxides, C: Ab initio calculations, D: Defects, D: Electronic structure, Keywords

Relation: https://digitalcommons.mtu.edu/michigantech-p/6798; https://doi.org/10.1016/j.jpcs.2013.11.005

الاتاحة: https://digitalcommons.mtu.edu/michigantech-p/6798
https://doi.org/10.1016/j.jpcs.2013.11.005

المؤلفون: Parlak, Cihan

المساهمون: BAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümü, orcid:0000-0002-4004-8696, Parlak, Cihan

مصطلحات موضوعية: A. Superconductors, C. Ab Initio Calculations, D. Elastic Properties, D. Electronic Structure, D. Phonons

وصف الملف: application/pdf

Relation: Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; Computational Materials Science; https://doi.org/10.1016/j.commatsci.2014.07.009; https://hdl.handle.net/20.500.12491/7798; 93; 201; 205

الاتاحة: https://hdl.handle.net/20.500.12491/7798
https://doi.org/10.1016/j.commatsci.2014.07.009

المؤلفون: Zhu, Jiajie, Gu, Mu, Pandey, Ravindra

المصدر: Michigan Tech Publications

مصطلحات موضوعية: A. Optical materials, A. Semiconductors, C. Ab initio calculations, D. Defects, D. Electronic structure

Relation: https://digitalcommons.mtu.edu/michigantech-p/6797; https://doi.org/10.1016/j.jpcs.2013.03.010

الاتاحة: https://digitalcommons.mtu.edu/michigantech-p/6797
https://doi.org/10.1016/j.jpcs.2013.03.010

المؤلفون: Natanzon, Yuriy, Boniecki, Marek, Łodziana, Zbigniew

مصطلحات موضوعية: A. Oxides, C. Ab initio calculations, D. Elastic properties, D. Electronic structure

Relation: Journal of Physics and Chemistry of Solids--J. Phys. Chem. Solids--journals:1743--0022-3697; empa:2416; journal id: journals:1743; ut: 000262558900003; local: 13930; scopus: 2-s2.0-57649214072

الاتاحة: https://doi.org/10.1016/j.jpcs.2008.08.014

المؤلفون: Kim, Gyubong, Park, Noejung, Jhi, Seung-Hoon

مصطلحات موضوعية: A. Fullerenes, A. Nanostructures, C. Ab initio calculations, D. Surface properties

Relation: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, v.69, no.5-6, pp.1185 - 1187; https://scholarworks.unist.ac.kr/handle/201301/8548; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=43449115086; 1042; 18282; 2-s2.0-43449115086; 000256817000038

الاتاحة: https://scholarworks.unist.ac.kr/handle/201301/8548
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=43449115086
https://doi.org/10.1016/j.jpcs.2007.10.058

المؤلفون: J.L. Gervasoni, Alfredo Juan, J.P. Abriata, Jorge Mario Marchetti, S. Segui

المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

مصطلحات موضوعية: Lanthanide, Electron density, Hydrogen, Chemistry, Otras Ciencias Químicas, D. DEFECTS, Ciencias Químicas, Thermodynamics, chemistry.chemical_element, C. AB INITIO CALCULATIONS, General Chemistry, Condensed Matter Physics, Enthalpy change of solution, purl.org/becyt/ford/1 [https], Formalism (philosophy of mathematics), Ab initio quantum chemistry methods, purl.org/becyt/ford/1.4 [https], Physical chemistry, General Materials Science, Solubility, CIENCIAS NATURALES Y EXACTAS, Electronic density, A. METALS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03b6379e26d1df918d57eeee8b18c8ea
https://www.sciencedirect.com/science/article/pii/S0022369706002198

المؤلفون: Norberto J. Castellani, P. Légaré, Gabriela Fernanda Cabeza

مصطلحات موضوعية: Otras Ciencias Químicas, Analytical chemistry, D. ELECTRONIC STRUCTURE, Ciencias Químicas, chemistry.chemical_element, C. AB INITIO CALCULATIONS, General Chemistry, Electronic structure, Substrate (electronics), Condensed Matter Physics, Nickel, A. SURFACES, Lattice constant, chemistry, Transition metal, Ab initio quantum chemistry methods, General Materials Science, Atomic physics, Platinum, Bimetallic strip, CIENCIAS NATURALES Y EXACTAS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6adda107a9c5ecea1a14185b99b21934
https://www.sciencedirect.com/science/article/pii/S0022369705005822

المؤلفون: Ole Krogh Andersen, Jens Kortus, Lilia Boeri

مصطلحات موضوعية: Phonon, A. Superconductors, C. ab initio calculations, D. Electronic structure, D. Lattice dynamics, D. Phonons, Electronic, Optical and Magnetic Materials, Condensed Matter Physics, Electronic structure, engineering.material, Crystal, Condensed Matter::Materials Science, Ab initio quantum chemistry methods, Condensed Matter::Superconductivity, Electronic, General Materials Science, Optical and Magnetic Materials, Superconductivity, Condensed matter physics, Chemistry, Doping, Degenerate energy levels, Diamond, General Chemistry, engineering, Condensed Matter::Strongly Correlated Electrons

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d3985049b8ebf50eb906953ee9d3e59
http://hdl.handle.net/11573/972870

المؤلفون: Philippe Rabiller, Claudine Katan, Mohamed Souhassou, Carlo Gatti, Claude Lecomte

المساهمون: Groupe matière condensée et matériaux (GMCM), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de d'ElectroSynthèse et Synthèse Organiques (SESO), Istituto di Scienze e Technologie Molecolari, CNR ISTM, Centre National de la Recherche Scientifique (CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids, 2004, 65 (12), pp.1951-1955. ⟨10.1016/j.jpcs.2004.08.006⟩
Journal of Physics and Chemistry of Solids, Elsevier, 2004, 65 (12), pp.1951-1955. ⟨10.1016/j.jpcs.2004.08.006⟩
Journal of physics and chemistry of solids 65 (2004): 1951–1955. doi:10.1016/j.jpcs.2004.08.006
info:cnr-pdr/source/autori:Rabiller P., Souhassou M., Katan C., Gatti C., Lecomte C./titolo:Accuracy of topological analysis of gridded electron densities/doi:10.1016%2Fj.jpcs.2004.08.006/rivista:Journal of physics and chemistry of solids/anno:2004/pagina_da:1951/pagina_a:1955/intervallo_pagine:1951–1955/volume:65

مصطلحات موضوعية: Electron density, 02 engineering and technology, Electronic structure, Electron, 010402 general chemistry, Topology, 01 natural sciences, Software, Ab initio quantum chemistry methods, Computer software, General Materials Science, Atomic charge, Quantitative Biology::Biomolecules, business.industry, Chemistry, ab initio calculations, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Software package, electronic structure, 0104 chemical sciences, X-ray diffraction, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, A. Organic compounds, A. Inorganic compounds, C. X-ray diffraction, C. Ab initio calculations, D. Electronic structure, 0210 nano-technology, business, inorganic compounds, organic compounds

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a886ee4e50baec1c622f35b36eb6d2a4
https://univ-rennes.hal.science/hal-01417558/document

المؤلفون: Aguiar, J.C., Di Rocco, H.O., Mitnik, D.

مصطلحات موضوعية: A. Electronic materials, C. Ab initio calculations, D. Electronic structure, Ab initio calculations, Compton profiles, Electron momentum, Electronic materials, Experimental analysis, Generalized gradient approximations, Theoretical calculations, Valence electron, Electronic structure, Compton scattering

Relation: http://hdl.handle.net/20.500.12110/paper_00223697_v74_n10_p1341_Aguiar

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00223697_v74_n10_p1341_Aguiar

المؤلفون: Fracchia, R.M., Barrera, G.D., Allan, N.L., Barron, T.H.K., Mackrodt, W.C.

مصطلحات موضوعية: C. Ab initio calculations, D. Anharmonicity, D. Lattice dynamics, D. Phase transitions, D. Phonons, Electric potential, Lattice vibrations, Molecular dynamics, Phase transitions, Phonons, Hartree-Fock theory, Lattice statics, Lithium oxide, Superionic behavior, Lithium compounds

Relation: http://hdl.handle.net/20.500.12110/paper_00223697_v59_n3_p435_Fracchia

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00223697_v59_n3_p435_Fracchia