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1دورية أكاديمية
المصدر: New Journal of Physics, Vol 23, Iss 6, p 063007 (2021)
مصطلحات موضوعية: density functional theory, meta-GGA functionals, solid state calculations, MGGAC functional, Science, Physics, QC1-999
وصف الملف: electronic resource
Relation: https://doaj.org/toc/1367-2630
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المؤلفون: Arghya Ghosh, Subrata Jana, Manish K. Niranjan, Fabien Tran, David Wimberger, Peter Blaha, Lucian A. Constantin, Prasanjit Samal
المصدر: The Journal of Physical Chemistry C. 126:14650-14660
مصطلحات موضوعية: Condensed Matter::Materials Science, Condensed Matter - Materials Science, General Energy, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Condensed Matter::Strongly Correlated Electrons, Physical and Theoretical Chemistry, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials
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المؤلفون: Bidyadhar Das, Madhusmita Sahoo, Abhilash Patra, Ashok K. Yadav, S. N. Jha, Prasanjit Samal, Kartik Senapati, Pratap K. Sahoo
المصدر: Physical Chemistry Chemical Physics. 24:4415-4424
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::818d7ce8757cb5de8f76210fd834cb79
https://doi.org/10.1039/d1cp04544j -
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المؤلفون: Bikash Patra, Prasanjit Samal, Abhilash Patra
المصدر: Physical Chemistry Chemical Physics. 24:13633-13640
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16ef425ec49281189f7ba458ad30cdbb
https://doi.org/10.1039/d1cp05425b -
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المؤلفون: Subrata Jana, Lucian A. Constantin, Szymon Śmiga, Prasanjit Samal
المصدر: The Journal of chemical physics. 157(2)
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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المؤلفون: Gurupada Ghorai, Kalyan Ghosh, Bidyadhar Das, Subhashree Sahoo, Bikash Patra, Prasanjit Samal, Pratap K Sahoo
المصدر: Nanotechnology. 34(7)
مصطلحات موضوعية: Mechanics of Materials, Mechanical Engineering, General Materials Science, Bioengineering, General Chemistry, Electrical and Electronic Engineering
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المؤلفون: Mayuri Bora, Sushant Kumar Behera, Prasanjit Samal, Pritam Deb
المصدر: Physical Review B. 105
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f0324e978e23a8d271a8893939327b6c
https://doi.org/10.1103/physrevb.105.235422 -
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المؤلفون: Subrata Jana, Lucian A. Constantin, Szymon Śmiga, Prasanjit Samal
المصدر: Journal of chemical theory and computation (Online) 16 (2020): 7413–7430. doi:10.1021/acs.jctc.0c00823
info:cnr-pdr/source/autori:Jana S.; Smiga S.; Constantin L.A.; Samal P./titolo:Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms/doi:10.1021%2Facs.jctc.0c00823/rivista:Journal of chemical theory and computation (Online)/anno:2020/pagina_da:7413/pagina_a:7430/intervallo_pagine:7413–7430/volume:16
Journal of Chemical Theory and Computationمصطلحات موضوعية: Physics, Formalism (philosophy of mathematics), 010304 chemical physics, 0103 physical sciences, Perturbation (astronomy), Density functional theory, Statistical physics, Physical and Theoretical Chemistry, Adiabatic process, 01 natural sciences, Article, Computer Science Applications
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المؤلفون: Lucian A. Constantin, Subrata Jana, Prasanjit Samal
المصدر: Journal of Chemical Theory and Computation. 16:974-987
مصطلحات موضوعية: Materials science, 010304 chemical physics, Chemical physics, 0103 physical sciences, Ab initio, Physical and Theoretical Chemistry, 01 natural sciences, Physics::History of Physics, Computer Science Applications
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المصدر: Journal of chemical physics online 155 (2021): 114102-1–114102-15. doi:10.1063/5.0060538
info:cnr-pdr/source/autori:Jana S.; Myneni H.; Smiga S.; Constantin L.A.; Samal P./titolo:Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids/doi:10.1063%2F5.0060538/rivista:Journal of chemical physics online/anno:2021/pagina_da:114102-1/pagina_a:114102-15/intervallo_pagine:114102-1–114102-15/volume:155مصطلحات موضوعية: Physics, chemistry.chemical_classification, Work (thermodynamics), Binding energy, General Physics and Astronomy, Thermodynamics, chemistry, Atom, Thermochemistry, Non-covalent interactions, Molecule, Density functional theory, Benchmarking, Cost effectiveness, Driers (materials), Ice, Ions, Molecular crystals, Molecules, Organometallics, Physical and Theoretical Chemistry, Dispersion (chemistry)
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