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1دورية أكاديمية
المؤلفون: Binosi, Daniele1 (AUTHOR) binosi@ectstar.eu, Garberoglio, Giovanni1 (AUTHOR) garberoglio@ectstar.eu, Harvey, Allan H.2 (AUTHOR) allan.harvey@nist.gov
المصدر: Journal of Chemical Physics. 6/28/2024, Vol. 160 Issue 24, p1-16. 16p.
مصطلحات موضوعية: *VIRIAL coefficients, *AB-initio calculations, *ISOTOPOLOGUES, *HELIUM, *FEYNMAN integrals, *LOW temperatures, *DENSITY
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2دورية أكاديمية
المؤلفون: Genoni, Alessandro1 (AUTHOR) alessandro.genoni@univ-lorraine.fr, Martín Pendás, Ángel2 (AUTHOR)
المصدر: Journal of Chemical Physics. 6/21/2024, Vol. 160 Issue 23, p1-18. 18p.
مصطلحات موضوعية: *WAVE functions, *AB-initio calculations, *DENSITY functional theory, *QUANTUM mechanics, *DENSITY functionals, *DENSITY, *X-ray powder diffraction
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3دورية أكاديمية
المؤلفون: Jaddi, A.1,2 (AUTHOR), Marakchi, K.1 (AUTHOR), Zanchet, A.2 (AUTHOR), García-Vela, A.2 (AUTHOR) garciavela@iff.csic.es
المصدر: Journal of Chemical Physics. 6/14/2024, Vol. 160 Issue 22, p1-10. 10p.
مصطلحات موضوعية: *ACETALDEHYDE, *AB-initio calculations, *IONIZATION energy, *CHEMICAL bond lengths, *EXCITED states
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4دورية أكاديمية
المؤلفون: Palii, Andrew1 (AUTHOR) andrew.palii@uv.es, Belonovich, Valeria1,2 (AUTHOR), Aldoshin, Sergey1 (AUTHOR), Tsukerblat, Boris3 (AUTHOR) tsuker@bgu.ac.il
المصدر: Journal of Chemical Physics. 6/14/2024, Vol. 160 Issue 22, p1-8. 8p.
مصطلحات موضوعية: *CELLULAR automata, *AB-initio calculations, *SEMICONDUCTOR quantum dots, *QUANTUM dots, *ELECTRIC fields
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5دورية أكاديمية
المؤلفون: Nguyen, Thao1 (AUTHOR), Burakovsky, Leonid1 (AUTHOR), Fensin, Saryu J.1 (AUTHOR) saryuj@lanl.gov, Luscher, Darby J.1 (AUTHOR) djl@lanl.gov, Prime, Michael B.1 (AUTHOR) prime@lanl.gov, Cady, Carl1 (AUTHOR), Gray III, George T.1 (AUTHOR), Jones, David R.1 (AUTHOR), Martinez, Daniel T.1 (AUTHOR), Rowland, Richard L.1 (AUTHOR), Sjue, Sky1 (AUTHOR), Sturtevant, Blake T.1 (AUTHOR), Valdez, James A.1 (AUTHOR)
المصدر: Journal of Applied Physics. 6/14/2024, Vol. 135 Issue 22, p1-19. 19p.
مصطلحات موضوعية: *LATENT heat of fusion, *AB-initio calculations, *MATERIAL plasticity, *STRAINS & stresses (Mechanics), *MODULUS of rigidity
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6دورية أكاديمية
المؤلفون: Toraille, Loïc1,2 (AUTHOR) loic.toraille@cea.fr, Weck, Gunnar1,2 (AUTHOR), Geneste, Grégory1,2 (AUTHOR), Pépin, Charles1,2 (AUTHOR), Garbarino, Gaston3 (AUTHOR), Loubeyre, Paul1,2 (AUTHOR)
المصدر: Journal of Chemical Physics. 6/7/2024, Vol. 160 Issue 21, p1-12. 12p.
مصطلحات موضوعية: *AB-initio calculations, *RAMAN spectroscopy, *X-ray diffraction, *INFRARED absorption, *PHASE transitions, *INFRARED spectroscopy
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7دورية أكاديمية
المؤلفون: Sahoo, B. D.1 (AUTHOR) bdsahoo@barc.gov.in, Joshi, K. D.1,2 (AUTHOR)
المصدر: Journal of Applied Physics. 4/28/2024, Vol. 135 Issue 16, p1-16. 16p.
مصطلحات موضوعية: *AB-initio calculations, *NITRIDES, *SUPERCONDUCTIVITY, *ELECTRON-phonon interactions, *PHASE diagrams, *THORIUM
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8دورية أكاديمية
المؤلفون: Yu, Zheng1 (AUTHOR), Annamareddy, Ajay2 (AUTHOR), Morgan, Dane2 (AUTHOR), Wang, Bu2,3 (AUTHOR) bu.wang@wisc.edu
المصدر: Journal of Chemical Physics. 2/7/2024, Vol. 160 Issue 5, p1-10. 10p.
مصطلحات موضوعية: *AB-initio calculations, *MACHINE learning, *EXPANSION of liquids, *ATOMIC interactions, *THERMAL expansion, *GLASS transition temperature
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9رسالة جامعية
المؤلفون: Gutiérrez-Blanco, María
المساهمون: University/Department: Universitat Jaume I. Escola de Doctorat
مرشدي الرسالة: Llusar, Rosa, Safont Villarreal, Vicent Sixte
المصدر: TDX (Tesis Doctorals en Xarxa)
مصطلحات موضوعية: Molybdenum sulfide clusters, DFT calculations, Homogeneous catalysis, Hydrogen, Ciències
وصف الملف: application/pdf
الوصول الحر: http://hdl.handle.net/10803/689934Test
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10دورية أكاديمية
المؤلفون: Franke, Peter R.1 (AUTHOR), Stanton, John F.1 (AUTHOR) johnstanton@chem.ufl.edu
المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-9. 9p.
مصطلحات موضوعية: *AB-initio calculations, *CHEMICAL bond lengths, *MOLECULES, *PERTURBATION theory, *SMALL molecules
