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1تقرير
المؤلفون: Nandy, A., Terrones, G., Arunachalam, N., Duan, C., Kastner, D. W., Kulik, H. J.
مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Chemical Physics
URL الوصول: http://arxiv.org/abs/2109.08098
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2دورية أكاديمية
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المؤلفون: Kulik, H. J., Cococcioni, M., Scherlis, D. A., Marzari, N.
مصطلحات موضوعية: reactivity, gas-phase, electronic-structure, feo+, activation, insulators, fe-2, approximation, states, h-h
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::0b6cc4e68197a1bece5c513faf536685
https://infoscience.epfl.ch/record/179289 -
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المؤلفون: Kulik, H. J., Marzari, N.
مصطلحات موضوعية: ab-initio, anion photoelectron-spectroscopy, ab initio calculations, ultrasoft pseudopotentials, ground states, potential-energy curves, ground-state, transform emission-spectroscopy, hyperfine structures, calculations, laser spectroscopy, SCF calculations, Physics::Chemical Physics, DIM, lying electronic states, density-functional theory, density functional theory, bond lengths, dissociation energies
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::817ea02c7a1192aff40d9334280dc9e6
https://infoscience.epfl.ch/record/179291 -
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المؤلفون: Perera, U. G. E., Kulik, H. J., Iancu, V., da Silva, Lggvd, Ulloa, S. E., Marzari, N., Hla, S. W.
مصطلحات موضوعية: resonance, impurity, Condensed Matter::Strongly Correlated Electrons, insulators
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::bc9a034c68f643bdd10cc60bdff1ccdd
https://infoscience.epfl.ch/record/179339 -
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المؤلفون: Kulik, H. J., Marzari, N.
مصطلحات موضوعية: ab-initio, spectroscopy, potential energy surfaces, electronic-structure, SCF, configurations, binding energy, low-lying states, transition-metal, cobalt carbide, quantum chemistry, calculations, molecules, molecular, oxide, insulators, density-functional theory, density functional theory, bond lengths
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::42fb11122773b816830288408fe3557a
https://infoscience.epfl.ch/record/179293 -
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المؤلفون: Kulik, H. J., Marzari, N.
مصطلحات موضوعية: complexes, ablated iron atoms, electronic-structure, infrared-spectra, oxygen molecules, oxide, Physics::Chemical Physics, lda plus u, solid argon, chemistry, cobalt
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::c5193722fa389f34ab3f10d58c3976f2
https://infoscience.epfl.ch/record/179294 -
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المؤلفون: Kulik, H. J., Marzari, N.
مصطلحات موضوعية: reactivity, minimum energy paths, gas-phase, 2-state, methane, water, activation, saddle-points, surfaces, elastic band method, h-h
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______185::7ca14d71e1c56b1a5e5ef17d5b084f64
https://infoscience.epfl.ch/record/179290